SCHEMBL4561884

SCHEMBL4561884

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PANK3 Q9H999 1/20 0.38
▸ TRPV1 Q8NER1 4/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CNR2 P34972 1/20 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
SCHEMBL2717084 0.92 MEN1 (0.38) RBP4MEN1KMT2APANK3TRPV1
SCHEMBL2716097 0.91 MEN1 (0.39) RBP4MEN1KMT2APANK3CNR2
SCHEMBL2715967 0.89 NPSR1 (0.41) RBP4TRPV1
SCHEMBL2719728 0.88 MEN1 (0.40) RBP4MEN1KMT2ATRPV1TRPA1
SCHEMBL2715997 0.88 KMT2A (0.38) RBP4MEN1KMT2APANK3TRPV1
SCHEMBL2718774 0.88 CNR2 (0.43) RBP4MEN1KMT2ATRPV1TRPA1
SCHEMBL2716341 0.87 RBP4 (0.39) RBP4MEN1KMT2ATRPV1TRPA1
SCHEMBL2719095 0.85 PHGDH (0.49) RBP4MEN1KMT2ATRPV1
SCHEMBL2730292 0.84 TRPV1 (0.43) RBP4MEN1KMT2ATRPV1TRPA1
SCHEMBL2730160 0.83 TRPV1 (0.45) RBP4MEN1KMT2ATRPV1TRPA1

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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