SCHEMBL742313

SCHEMBL742313

CC(C)N(C)Cc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)NC(C)(C)c4ccccc4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
AURKA O14965 8/20 0.48
FLT3 P36888 5/20 0.40
KIT P10721 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
MAP4K4 O95819 2/20 0.34
MELK Q14680 2/20 0.34
MINK1 Q8N4C8 2/20 0.34
STK17A Q9UEE5 2/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL743001 0.93 ABL1 (0.51) ABL1BCRAURKAFLT3KIT
SCHEMBL739669 0.92 ABL1 (0.53) ABL1BCRAURKAFLT3KIT
SCHEMBL741133 0.87 ABL1 (0.54) ABL1BCRAURKAFLT3HDAC6
SCHEMBL743719 0.86 ABL1 (0.55) ABL1BCRAURKAFLT3KIT
SCHEMBL3090928 0.86 FLT3 (0.42) AURKAFLT3KITMAP4K4MELK
SCHEMBL740292 0.86 AURKA (0.55) ABL1BCRAURKAALDH1A1CDK2
SCHEMBL741926 0.85 AURKA (0.52) ABL1BCRAURKAFLT3KIT
SCHEMBL739415 0.84 ABL1 (0.53) ABL1BCRAURKAFLT3KIT
SCHEMBL741311 0.83 AURKA (0.53) ABL1BCRAURKAFLT3MELK
SCHEMBL738866 0.83 AURKA (0.53) ABL1BCRAURKAFLT3KDM4E

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