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SCHEMBL6616710

SCHEMBL6616710

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2O)cc1C1CCC1.NC(=O)n1cccn1.O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.35
▸ GCGR P47871 5/20 0.35
▸ GIPR P48546 4/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ DDR2 Q16832 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ WNT3A P56704 2/20 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
SCHEMBL6619833 0.85 TRPV1 (0.43) ABL1GCGRGIPRDDR1DDR2
SCHEMBL6615941 0.85 GCGR (0.37) ABL1GCGRGIPRDDR1DDR2
SCHEMBL6617186 0.82 GCGR (0.44) ABL1GCGRGIPRTRPV1NAMPT
SCHEMBL6617661 0.80 GCGR (0.41) ABL1GCGRGIPRNAMPT
SCHEMBL6617918 0.80 NAMPT (0.39) ABL1GCGRGIPRDDR1DDR2
SCHEMBL6684057 0.79 HPGD (0.43) NAMPT
SCHEMBL6615051 0.78 SCN2A (0.42) ABL1GCGRGIPRTRPV1NAMPT
SCHEMBL6615303 0.78 GCGR (0.40) ABL1GCGRGIPRTRPV1
SCHEMBL6624191 0.78 CRACR2A (0.46) NAMPT
SCHEMBL6617662 0.77 GCGR (0.39) ABL1GCGRGIPRDDR1DDR2

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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