SCHEMBL1780968

SCHEMBL1780968

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ncc[nH]3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
PPARG P37231 6/20 0.34
RXFP1 Q9HBX9 2/20 0.34
FGFR4 P22455 2/20 0.34
NR1H4 Q96RI1 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
TACR3 P29371 1/20 0.33
DHPS P49366 1/20 0.33
ATM Q13315 1/20 0.33
PPARA Q07869 2/20 0.33
LMNA P02545 1/20 0.33

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 0.87 AURKA (0.50) AURKAABL1BCRPPARGRXFP1
SCHEMBL3868202 0.87 NPSR1 (0.41) FGFR4NPSR1ATMLMNA
SCHEMBL1778344 0.87 AURKA (0.43) AURKAABL1BCRPPARGRXFP1
SCHEMBL1779328 0.86 RXFP1 (0.44) AURKAABL1BCRPPARGRXFP1
SCHEMBL1780795 0.86 AURKA (0.45) AURKAABL1BCRPPARGRXFP1
SCHEMBL1778129 0.85 AURKA (0.43) AURKAABL1BCRPPARGRXFP1
SCHEMBL1778864 0.85 AURKA (0.41) AURKAABL1BCRPPARGRXFP1
SCHEMBL1781218 0.85 AURKA (0.43) AURKAABL1BCRPPARGRXFP1
SCHEMBL1780794 0.84 AURKA (0.46) AURKAABL1BCRPPARGRXFP1
SCHEMBL1777256 0.84 RXFP1 (0.47) AURKAABL1BCRRXFP1NPSR1

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