SCHEMBL1780558

SCHEMBL1780558

CCn1nc(C)cc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3F)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.40
FGFR1 P11362 4/20 0.40
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
FGFR4 P22455 3/20 0.32
STING1 Q86WV6 1/20 0.32
PRKCB P05771 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL1778545 0.90 AURKA (0.40) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL15362157 0.90 KDR (0.39) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL1780489 0.88 AURKA (0.42) AURKA
SCHEMBL3868186 0.85 KDR (0.42) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL1779872 0.84 KDR (0.37) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL1778845 0.84 PPARG (0.37) KDRFGFR1KMT2ASMN1; SMN2PPARG
SCHEMBL1778942 0.84 RXFP1 (0.38) KDRFGFR1NPC1RAB9ASMN1; SMN2
SCHEMBL1778788 0.83 FGFR4 (0.36) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL1778010 0.81 RAB9A (0.37) KDRFGFR1NPC1RAB9AKMT2A
SCHEMBL1779132 0.81 NR1H4 (0.37) KDRFGFR1NPSR1PPARGNR1H4

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 2 patents. 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 claimed
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