SCHEMBL2716221

SCHEMBL2716221

CC(C)(C)c1cc(NC(=O)N2CCN(c3nccnc3OCc3ccnc(N)n3)CC2)ncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.37
▸ PDGFRB P09619 7/20 0.37
▸ PDGFRA P16234 3/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ LIMK2 P53671 1/20 0.34

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
SCHEMBL2716212 0.89 CNR2 (0.39) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2719291 0.89 CNR2 (0.41) CNR2PDGFRBPDGFRATRPV1TRPA1
SCHEMBL4562325 0.81 TRPV1 (0.40) PDGFRBPDGFRATRPV1TRPA1KCNH2
SCHEMBL2384227 0.80 PI4KB (0.50) PDGFRBTRPV1FAAHHCAR2PI4KB
SCHEMBL2385334 0.80 PDGFRB (0.42) PDGFRBPDGFRAKCNH2PI4KB
SCHEMBL2384683 0.79 PDGFRB (0.45) PDGFRBTRPV1LMNA
SCHEMBL2385038 0.79 TRPV1 (0.48) TRPV1HSD17B10
SCHEMBL2720162 0.79 NPSR1 (0.37) TRPV1HSD17B10
SCHEMBL2718774 0.78 CNR2 (0.43) CNR2TRPV1TRPA1KCNH2TRPM8
SCHEMBL2384210 0.78 PI4KB (0.43) PDGFRBPI4KBLMNALIMK2

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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