SCHEMBL6619980

SCHEMBL6619980

COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3O)cc2C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 4/20 0.45
▸ NAMPT P43490 5/20 0.45
▸ GIPR P48546 3/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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 0.94 GCGR (0.45) GCGRNAMPTGIPRABL1CTNNB1
SCHEMBL6616422 0.93 NAMPT (0.45) GCGRNAMPTGIPRABL1CTNNB1
SCHEMBL6619043 0.90 SLC2A1 (0.42) GCGRNAMPTGIPRRAB9ANPC1
SCHEMBL6615889 0.90 TRPV1 (0.45) GCGRNAMPTGIPRABL1EPHX2
SCHEMBL6615756 0.89 NAMPT (0.42) GCGRNAMPTGIPRRAB9ANPC1
SCHEMBL6620182 0.88 MAPT (0.47) NAMPTRAB9ANPC1ACKR3
SCHEMBL6614050 0.87 GCGR (0.43) GCGRNAMPTGIPRABL1CTNNB1
SCHEMBL6615051 0.87 SCN2A (0.42) GCGRNAMPTGIPRRAB9ANPC1
SCHEMBL6615885 0.85 NPC1 (0.47) NAMPTRAB9ANPC1ACKR3
SCHEMBL6616488 0.85 GCGR (0.43) GCGRNAMPTGIPRABL1EPHX2

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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