3-(3,3-Dimethylbutan-2-ylamino)-4-[[2-(3-methylanilino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione

Molecule Details

InChIKey	`CKVWQORGCCEYHS-UHFFFAOYSA-N`
Compound Name	3-(3,3-Dimethylbutan-2-ylamino)-4-[[2-(3-methylanilino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
Canonical SMILES	`Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	50
Pfam Stratification	Cross-Family
Avg pChEMBL	6.7
Source	ChEMBL

2D Structure

Activity Profile

Target Activities (50)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O00444	PLK4	Homo sapiens	Human	PF00069 PF18190 PF18409	7.8	Ki	ChEMBL
O43293	DAPK3	Homo sapiens	Human	PF00069	7.8	Ki	ChEMBL
Q9H4B4	PLK3	Homo sapiens	Human	PF00069 PF00659	7.8	Ki	ChEMBL
O96017	CHEK2	Homo sapiens	Human	PF00498 PF00069	7.7	Ki	ChEMBL
Q96GD4	AURKB	Homo sapiens	Human	PF00069	7.7	Ki	ChEMBL
P17948	FLT1	Homo sapiens	Human	PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	7.6	Ki	ChEMBL
Q9HBH9	MKNK2	Homo sapiens	Human	PF00069	7.6	Ki	ChEMBL
O15530	PDPK1	Homo sapiens	Human	PF14593 PF00069	7.3	Ki	ChEMBL
P35916	FLT4	Homo sapiens	Human	PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	7.3	Ki	ChEMBL
Q14680	MELK	Homo sapiens	Human	PF02149 PF00069 PF21594	7.3	Ki	ChEMBL
P78368	CSNK1G2	Homo sapiens	Human	PF12605 PF00069	7.2	Ki	ChEMBL
Q9BXA7	TSSK1B	Homo sapiens	Human	PF00069	7.2	Ki	ChEMBL
O00311	CDC7	Homo sapiens	Human	PF00069	6.9	Ki	ChEMBL
O14757	CHEK1	Homo sapiens	Human	PF00069	6.9	Ki	ChEMBL
O14965	AURKA	Homo sapiens	Human	PF00069	6.9	Ki	ChEMBL
Q9BZL6	PRKD2	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.9	Ki	ChEMBL
O94806	PRKD3	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.8	Ki	ChEMBL
P35968	KDR	Homo sapiens	Human	PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854	6.8	Ki	ChEMBL
Q96PF2	TSSK2	Homo sapiens	Human	PF00069	6.8	Ki	ChEMBL
O95819	MAP4K4	Homo sapiens	Human	PF00780 PF00069	6.6	Ki	ChEMBL
P07949	RET	Homo sapiens	Human	PF00028 PF07714 PF17756 PF17812 PF17813 PF22540	6.6	Ki	ChEMBL
P27448	MARK3	Homo sapiens	Human	PF02149 PF00069 PF00627	6.6	Ki	ChEMBL
P51817	PRKX	Homo sapiens	Human	PF00069	6.6	Ki	ChEMBL
Q13131	PRKAA1	Homo sapiens	Human	PF16579 PF21147 PF00069	6.6	Ki	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	6.5	Ki	ChEMBL
P30530	AXL	Homo sapiens	Human	PF00041 PF13927 PF07714	6.5	Ki	ChEMBL
P51955	NEK2	Homo sapiens	Human	PF00069	6.5	Ki	ChEMBL
P51957	NEK4	Homo sapiens	Human	PF00069	6.5	Ki	ChEMBL
P53350	PLK1	Homo sapiens	Human	PF00069 PF00659	6.5	Ki	ChEMBL
P68400	CSNK2A1	Homo sapiens	Human	PF00069	6.5	Ki	ChEMBL
Q7KZI7	MARK2	Homo sapiens	Human	PF02149 PF00069 PF00627	6.5	Ki	ChEMBL
Q8TDC3	BRSK1	Homo sapiens	Human	PF21122 PF00069 PF21115	6.5	Ki	ChEMBL
Q9Y4K4	MAP4K5	Homo sapiens	Human	PF00780 PF00069	6.5	Ki	ChEMBL
P06493	CDK1	Homo sapiens	Human	PF00069	6.4	Ki	ChEMBL
P28482	MAPK1	Homo sapiens	Human	PF00069	6.4	Ki	ChEMBL
O75116	ROCK2	Homo sapiens	Human	PF25346 PF00069 PF08912	6.3	Ki	ChEMBL
P08581	MET	Homo sapiens	Human	PF07714 PF01437 PF01403 PF01833	6.3	Ki	ChEMBL
P36888	FLT3	Homo sapiens	Human	PF00047 PF07714	6.3	Ki	ChEMBL
P49840	GSK3A	Homo sapiens	Human	PF00069	6.3	Ki	ChEMBL
P53667	LIMK1	Homo sapiens	Human	PF00412 PF00595 PF07714	6.3	Ki	ChEMBL
Q8NE63	HIPK4	Homo sapiens	Human	PF00069	6.3	Ki	ChEMBL
Q13464	ROCK1	Homo sapiens	Human	PF25346 PF00069 PF08912	6.2	Ki	ChEMBL
Q9HAZ1	CLK4	Homo sapiens	Human	PF00069	6.2	Ki	ChEMBL
Q9NYL2	MAP3K20	Homo sapiens	Human	PF07714 PF07647	6.2	Ki	ChEMBL
P11309	PIM1	Homo sapiens	Human	PF00069	6.1	Ki	ChEMBL
P49841	GSK3B	Homo sapiens	Human	PF00069	6.1	Ki	ChEMBL
P51617	IRAK1	Homo sapiens	Human	PF00531 PF00069	6.0	Ki	ChEMBL
Q13627	DYRK1A	Homo sapiens	Human	PF00069	6.0	Ki	ChEMBL
Q16513	PKN2	Homo sapiens	Human	PF02185 PF00069 PF00433	6.0	Ki	ChEMBL
Q9HBY8	SGK2	Homo sapiens	Human	PF00069 PF00433	6.0	Ki	ChEMBL