SCHEMBL2716341

SCHEMBL2716341

Cc1nc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)cc(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TRPV1 Q8NER1 4/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAP3K12 Q12852 5/20 0.37
▸ P2RY12 Q9H244 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL2719728 0.88 MEN1 (0.40) RBP4MEN1KMT2ATRPV1CNR2
SCHEMBL2718774 0.87 CNR2 (0.43) RBP4MEN1KMT2ATRPV1CNR2
SCHEMBL4561884 0.87 RBP4 (0.40) RBP4MEN1KMT2ATRPV1CNR2
SCHEMBL2719095 0.85 PHGDH (0.49) RBP4MEN1KMT2ATRPV1
SCHEMBL2715997 0.82 KMT2A (0.38) RBP4MEN1KMT2ATRPV1
SCHEMBL2730292 0.82 TRPV1 (0.43) RBP4MEN1KMT2ATRPV1CNR2
SCHEMBL2716178 0.82 MEN1 (0.42) RBP4MEN1KMT2ATRPV1
SCHEMBL2386385 0.82 NPSR1 (0.41) TRPV1
SCHEMBL2716556 0.82 MEN1 (0.41) RBP4MEN1KMT2ATRPV1CNR2
SCHEMBL2715957 0.82 MEN1 (0.42) RBP4MEN1KMT2ATRPV1CNR2

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

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