SCHEMBL1779573

SCHEMBL1779573

CC(C)C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR4 P22455 5/20 0.36
TACR3 P29371 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
PPARG P37231 4/20 0.35
MAPK1 P28482 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
BDKRB1 P46663 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1780795 0.90 AURKA (0.45) AURKAABL1BCRCYP2C19FGFR4
SCHEMBL1779700 0.89 AURKA (0.50) AURKAABL1BCRRXFP1PPARG
SCHEMBL1779328 0.88 RXFP1 (0.44) AURKAABL1BCRFGFR4TACR3
SCHEMBL1778129 0.88 AURKA (0.43) AURKAABL1BCRFGFR4RXFP1
SCHEMBL3866838 0.87 CYP1A2 (0.42) CYP1A2ALPLALPIALPGCYP2C9
SCHEMBL1780888 0.86 RXFP1 (0.46) AURKAABL1BCRFGFR4RXFP1
SCHEMBL1779010 0.86 RXFP1 (0.48) AURKAABL1BCRFGFR4RXFP1
SCHEMBL1780912 0.86 AURKA (0.49) AURKAABL1BCRRXFP1PPARG
SCHEMBL1778008 0.85 AURKA (0.49) AURKAABL1BCRCYP1A2CYP2C19
SCHEMBL1779104 0.85 AURKA (0.43) AURKAABL1BCRFGFR4TACR3

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