SCHEMBL1780912

SCHEMBL1780912

Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2n[nH]c3sc(C(=O)NC(C)(C)c4ccccc4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PPARG P37231 10/20 0.46
NR1H4 Q96RI1 13/20 0.45
PPARA Q07869 6/20 0.44
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL1779700 0.95 AURKA (0.50) AURKAABL1BCRRXFP1PPARG
SCHEMBL1778008 0.92 AURKA (0.49) AURKAABL1BCRRXFP1PPARG
SCHEMBL1779927 0.91 RXFP1 (0.49) AURKAABL1BCRRXFP1PPARG
SCHEMBL1779328 0.90 RXFP1 (0.44) AURKAABL1BCRRXFP1PPARG
SCHEMBL1779104 0.89 AURKA (0.43) AURKAABL1BCRPPARGNR1H4
SCHEMBL1780795 0.88 AURKA (0.45) AURKAABL1BCRRXFP1PPARG
SCHEMBL1780794 0.88 AURKA (0.46) AURKAABL1BCRRXFP1PPARG
SCHEMBL1778872 0.88 AURKA (0.46) AURKAABL1BCRRXFP1PPARG
SCHEMBL740292 0.88 AURKA (0.55) AURKAABL1BCRRXFP1
SCHEMBL1780888 0.88 RXFP1 (0.46) AURKAABL1BCRRXFP1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed