SCHEMBL2716556

SCHEMBL2716556

CCc1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)nc(CC)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RBP4 P02753 2/20 0.39
▸ TRPV1 Q8NER1 5/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDGFRB P09619 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
SCHEMBL2718886 0.91 CNR2 (0.40) MEN1KMT2ARBP4TRPV1TRPA1
SCHEMBL2716097 0.91 MEN1 (0.39) MEN1KMT2ARBP4CNR2HSD17B10
SCHEMBL2719156 0.90 TRPV1 (0.41) MEN1KMT2ARBP4TRPV1HSD17B10
SCHEMBL2715957 0.87 MEN1 (0.42) MEN1KMT2ARBP4TRPV1CNR2
SCHEMBL2719728 0.86 MEN1 (0.40) MEN1KMT2ARBP4TRPV1TRPA1
SCHEMBL2719095 0.85 PHGDH (0.49) MEN1KMT2ARBP4TRPV1KDM4E
SCHEMBL2384868 0.84 PDGFRB (0.45) MEN1KMT2ATRPV1ALDH1A1PDGFRB
SCHEMBL2730160 0.83 TRPV1 (0.45) MEN1KMT2ARBP4TRPV1TRPA1
SCHEMBL2385769 0.83 PDGFRB (0.44) MEN1KMT2ATRPV1HSD17B10PDGFRB
SCHEMBL2384174 0.83 MTNR1B (0.43) MEN1KMT2ARBP4TRPV1KDM4E

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
Send feedback