SCHEMBL6614050

SCHEMBL6614050

Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(OC(F)(F)F)cc4)ccc3O)cc2C2CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 8/20 0.43
▸ GIPR P48546 6/20 0.43
▸ NAMPT P43490 3/20 0.42
▸ ABL1 P00519 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ CTNNB1 P35222 1/20 0.39
▸ TCF7L2 Q9NQB0 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL6615997 0.93 GCGR (0.45) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6619787 0.92 MAPK14 (0.41) NAMPT
SCHEMBL6618517 0.91 KDM4E (0.45) NAMPT
SCHEMBL6614784 0.90 POLB (0.41) CTNNB1TCF7L2
SCHEMBL6608341 0.88 POLB (0.44) NAMPT
SCHEMBL6617916 0.88 NAMPT (0.44) NAMPT
SCHEMBL6619980 0.87 GCGR (0.45) GCGRGIPRNAMPTABL1CTNNB1
SCHEMBL6619043 0.86 SLC2A1 (0.42) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6616422 0.86 NAMPT (0.45) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6617712 0.86 RAF1 (0.44) —

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 disclosed
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 disclosed
Send feedback