SCHEMBL741142

SCHEMBL741142

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CNC4CCCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
AURKA O14965 4/20 0.48
HDAC1 Q13547 3/20 0.43
CTNNB1 P35222 3/20 0.37
TCF7L2 Q9NQB0 3/20 0.37
KDR P35968 2/20 0.37
PLK1 P53350 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
STK25 O00506 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRKD1 Q15139 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAOA P21397 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL741580 0.98 ABL1 (0.53) ABL1BCRAURKAHDAC1CTNNB1
SCHEMBL739415 0.97 ABL1 (0.53) ABL1BCRAURKAHDAC1CTNNB1
SCHEMBL2434523 0.88 ABL1 (0.43) ABL1BCRAURKAHDAC1CTNNB1
SCHEMBL741133 0.87 ABL1 (0.54) ABL1BCRAURKAHDAC1KDR
SCHEMBL2436119 0.87 ABL1 (0.43) ABL1BCRAURKAHDAC1CTNNB1
SCHEMBL3101901 0.86 HDAC1 (0.47) AURKAHDAC1CTNNB1TCF7L2KDR
SCHEMBL739669 0.85 ABL1 (0.53) ABL1BCRAURKAHDAC1CDK2
SCHEMBL2434540 0.85 ABL1 (0.42) ABL1BCRAURKAHDAC1CTNNB1
SCHEMBL743719 0.85 ABL1 (0.55) ABL1BCRAURKAHDAC1ROCK2
SCHEMBL740292 0.84 AURKA (0.55) ABL1BCRAURKACCNA2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US claimed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP claimed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP disclosed