SCHEMBL6651122

SCHEMBL6651122

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1ccc(OC(F)(F)F)cc1.O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.40
▸ TRPV1 Q8NER1 1/20 0.38
▸ ABL1 P00519 6/20 0.38
▸ GCGR P47871 2/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ GIPR P48546 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37

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
SCHEMBL6616488 0.88 GCGR (0.43) NAMPTTRPV1ABL1GCGRDDR1
SCHEMBL6619833 0.87 TRPV1 (0.43) NAMPTTRPV1ABL1GCGRDDR1
SCHEMBL6656520 0.85 MEN1 (0.40) NAMPT
SCHEMBL6616846 0.85 NAMPT (0.42) NAMPTHDAC1
SCHEMBL6615756 0.83 NAMPT (0.42) NAMPTABL1GCGRDDR1DDR2
SCHEMBL6616422 0.83 NAMPT (0.45) NAMPTTRPV1ABL1GCGRDDR1
SCHEMBL6615051 0.82 SCN2A (0.42) NAMPTTRPV1ABL1GCGRGIPR
SCHEMBL6613041 0.82 TRPV1 (0.44) NAMPTTRPV1ABL1GCGREPHX2
SCHEMBL6615977 0.82 LMNA (0.42) NAMPTEPHX2HDAC1MAPK14
SCHEMBL6614050 0.81 GCGR (0.43) NAMPTTRPV1ABL1GCGREPHX2

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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