SCHEMBL741133

SCHEMBL741133

CC(C)NCc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)NC(C)(C)c4ccccc4)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
AURKA O14965 9/20 0.49
KDR P35968 3/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
PLK1 P53350 1/20 0.37
PRKD1 Q15139 1/20 0.36
HDAC1 Q13547 1/20 0.35
FLT3 P36888 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
IMPDH2 P12268 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
AKT1 P31749 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
SCHEMBL743719 0.88 ABL1 (0.55) ABL1BCRAURKAHDAC1FLT3
SCHEMBL2467029 0.88 ABL1 (0.43) ABL1BCRAURKAPRKD1HDAC1
SCHEMBL743001 0.87 ABL1 (0.51) ABL1BCRAURKAHDAC1FLT3
SCHEMBL740292 0.87 AURKA (0.55) ABL1BCRAURKAHDAC6IMPDH2
SCHEMBL741580 0.87 ABL1 (0.53) ABL1BCRAURKAKDRCSNK2A2
SCHEMBL741142 0.87 ABL1 (0.53) ABL1BCRAURKAKDRCSNK2A2
SCHEMBL742313 0.87 ABL1 (0.51) ABL1BCRAURKAHDAC1FLT3
SCHEMBL739415 0.87 ABL1 (0.53) ABL1BCRAURKAKDRCSNK2A2
SCHEMBL739669 0.86 ABL1 (0.53) ABL1BCRAURKAHDAC1FLT3
SCHEMBL3090077 0.86 PRKD1 (0.39) ABL1BCRAURKAKDRCSNK2A2

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