SCHEMBL2719156

SCHEMBL2719156

CCc1nc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.41
▸ RBP4 P02753 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL2718886 0.93 CNR2 (0.40) TRPV1RBP4NPSR1HSD17B10CA12
SCHEMBL2716168 0.90 TRPV1 (0.42) TRPV1RBP4NPSR1HSD17B10CA12
SCHEMBL2716556 0.90 MEN1 (0.41) TRPV1RBP4HSD17B10MEN1KMT2A
SCHEMBL2716097 0.87 MEN1 (0.39) RBP4NPSR1HSD17B10MEN1KMT2A
SCHEMBL2716167 0.87 GAA (0.41) TRPV1RBP4NPSR1HSD17B10CA12
SCHEMBL2716592 0.84 TRPV1 (0.48) TRPV1RBP4NPSR1HSD17B10CA12
SCHEMBL2718774 0.84 CNR2 (0.43) TRPV1RBP4GAAMEN1KMT2A
SCHEMBL2715957 0.84 MEN1 (0.42) TRPV1RBP4HSD17B10MEN1KMT2A
SCHEMBL2719291 0.83 CNR2 (0.41) TRPV1RBP4NPSR1HSD17B10GAA
SCHEMBL2715967 0.83 NPSR1 (0.41) TRPV1RBP4NPSR1HSD17B10GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO claimed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
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