SCHEMBL2716097

SCHEMBL2716097

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PANK3 Q9H999 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL2717084 0.91 MEN1 (0.38) MEN1KMT2APANK3RBP4NPSR1
SCHEMBL4561884 0.91 RBP4 (0.40) MEN1KMT2APANK3RBP4CNR2
SCHEMBL2716556 0.91 MEN1 (0.41) MEN1KMT2ARBP4HSD17B10CNR2
SCHEMBL2715967 0.88 NPSR1 (0.41) RBP4NPSR1HSD17B10
SCHEMBL2718886 0.88 CNR2 (0.40) MEN1KMT2ARBP4NPSR1HSD17B10
SCHEMBL2719156 0.87 TRPV1 (0.41) MEN1KMT2ARBP4NPSR1HSD17B10
SCHEMBL2715997 0.85 KMT2A (0.38) MEN1KMT2APANK3RBP4
SCHEMBL2715957 0.84 MEN1 (0.42) MEN1KMT2ARBP4HSD17B10CNR2
SCHEMBL2719095 0.83 PHGDH (0.49) MEN1KMT2ARBP4
SCHEMBL2384868 0.82 PDGFRB (0.45) MEN1KMT2A

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
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
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