SCHEMBL21602896

SCHEMBL21602896

COc1cc(OC)c(F)c(-c2cc3cnc(-c4cnn(C)c4)nc3c(N3CCC(C)(O)C3)n2)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.42
▸ LRRK2 Q5S007 2/20 0.38
▸ FGFR1 P11362 3/20 0.36
▸ FGFR2 P21802 3/20 0.36
▸ FGFR4 P22455 3/20 0.36
▸ FGFR3 P22607 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.35

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
SCHEMBL21602899 0.93 TTK (0.40) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602951 0.86 TTK (0.40) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602966 0.86 FGFR1 (0.39) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602938 0.86 TTK (0.43) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602855 0.84 TTK (0.47) TTKLRRK2FGFR1FGFR2FGFR4
SCHEMBL21252298 0.83 TTK (0.38) TTKKDR
SCHEMBL21602893 0.82 TTK (0.48) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602967 0.81 TRPM8 (0.39) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602941 0.80 TTK (0.38) TTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL21602928 0.79 MAP4K1 (0.46) TTKFGFR1FGFR2FGFR4FGFR3

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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