SCHEMBL21602855

SCHEMBL21602855

COc1cc(OC)c(F)c(-c2cc3cnc(-c4cnn(C)c4)nc3c(N3CCOCC3)n2)c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.47
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ GAK O14976 2/20 0.42
▸ MTOR P42345 3/20 0.40
▸ PIM1 P11309 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAP4K1 Q92918 2/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 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
SCHEMBL21602938 0.92 TTK (0.43) TTKCCNA2CDK2MAP4K1FGFR1
SCHEMBL21602939 0.89 TTK (0.47) TTKTRPM8GAKPIM1LRRK2
SCHEMBL21602968 0.87 TRPM8 (0.60) TRPM8GAKMTOR
SCHEMBL21602944 0.87 FGFR1 (0.39) TTKTRPM8GAKMTORFGFR1
SCHEMBL21602905 0.86 TRPM8 (0.40) TTKTRPM8GAKMTORLRRK2
SCHEMBL21602941 0.86 TTK (0.38) TTKCCNA2CDK2MAP4K1FGFR1
SCHEMBL21602893 0.85 TTK (0.48) TTKCCNA2CDK2MAP4K1FGFR1
SCHEMBL21602913 0.85 TRPM8 (0.43) TRPM8GAKMTORFGFR3
SCHEMBL21602948 0.85 TRPM8 (0.43) TRPM8GAKMTORLRRK2MAP4K1
SCHEMBL21602899 0.85 TTK (0.40) TTKMAP4K1FGFR1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936493-B High-selectivity FGFri inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-05-26 — — CN disclosed
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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