SCHEMBL6619043

SCHEMBL6619043

COc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(OC(F)(F)F)cc4)ccc3O)cc2C2CC2)cc1.O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.42
▸ GCGR P47871 4/20 0.42
▸ GIPR P48546 3/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RPA1 P27694 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
SCHEMBL6615889 0.92 TRPV1 (0.45) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6619980 0.90 GCGR (0.45) SLC2A1GCGRGIPRACKR3ABL1
SCHEMBL6619399 0.88 MAPT (0.47) MEN1LMNAHPGDKMT2ANAMPT
SCHEMBL6614050 0.86 GCGR (0.43) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6615885 0.85 NPC1 (0.47) ACKR3MEN1LMNAHPGDKMT2A
SCHEMBL6615997 0.85 GCGR (0.45) GCGRGIPRTRPV1ABL1MEN1
SCHEMBL6616422 0.84 NAMPT (0.45) SLC2A1GCGRGIPRTRPV1ABL1
SCHEMBL6616656 0.83 LMNA (0.39) MEN1LMNAHPGDKMT2A
SCHEMBL6618429 0.83 ACKR3 (0.44) ACKR3MEN1KMT2ANPC1RAB9A
SCHEMBL6618517 0.83 KDM4E (0.45) ACKR3LMNAGAAHPGDNAMPT

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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