SCHEMBL21602939

SCHEMBL21602939

COc1cc(OC)c(Cl)c(-c2cc3cnc(-c4cnn(C)c4)nc3c(N3CCOCC3)n2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.47
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ FGFR4 P22455 3/20 0.41
▸ GAK O14976 1/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ FGFR1 P11362 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIK3CD O00329 1/20 0.37

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
SCHEMBL21602855 0.89 TTK (0.47) TTKTRPM8FGFR4GAKPIM1
SCHEMBL21602860 0.87 FGFR1 (0.42) TTKTRPM8GAKFGFR1SMN1; SMN2
SCHEMBL21602947 0.84 PIK3CA (0.48) TRPM8FGFR4GAKPDE10ASMN1; SMN2
SCHEMBL21602920 0.83 MTOR (0.40) TTKTRPM8CDK2FGFR1PIK3CD
SCHEMBL21252079 0.82 NOS1 (0.45) TRPM8GAKLRRK2PDE10AFGFR1
SCHEMBL21602922 0.82 FGFR1 (0.41) TTKTRPM8FGFR4CDK2FGFR1
SCHEMBL21602938 0.80 TTK (0.43) TTKFGFR4CCNA2CDK2FGFR1
SCHEMBL20331483 0.80 PDE4B (0.45) TTKTRPM8GAKPDE10AFGFR1
SCHEMBL29578278 0.80 PDE4B (0.45) TTKTRPM8GAKPDE10AFGFR1
SCHEMBL21602968 0.76 TRPM8 (0.60) TRPM8GAK

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-2019242587-A1 HIGHLY SELECTIVE FGFR I INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2019-12-26 — — WO disclosed
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