SCHEMBL1779328

SCHEMBL1779328

Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ PPARG P37231 5/20 0.41
▸ NR1H4 Q96RI1 4/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TP53 P04637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ FGFR4 P22455 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TACR3 P29371 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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 0.92 AURKA (0.50) RXFP1AURKAABL1BCRPPARG
SCHEMBL1780795 0.91 AURKA (0.45) RXFP1AURKAABL1BCRPPARG
SCHEMBL1780912 0.90 AURKA (0.49) RXFP1AURKAABL1BCRPPARG
SCHEMBL1778129 0.90 AURKA (0.43) RXFP1AURKAABL1BCRPPARG
SCHEMBL1778032 0.90 AURKA (0.42) RXFP1AURKAABL1BCRPPARG
SCHEMBL1779104 0.90 AURKA (0.43) AURKAABL1BCRPPARGNR1H4
SCHEMBL1779010 0.89 RXFP1 (0.48) RXFP1AURKAABL1BCRALDH1A1
SCHEMBL1780888 0.89 RXFP1 (0.46) RXFP1AURKAABL1BCRPPARG
SCHEMBL1779573 0.88 AURKA (0.43) RXFP1AURKAABL1BCRPPARG
SCHEMBL1779319 0.88 AURKA (0.41) RXFP1AURKAABL1BCRPPARG

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
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