SCHEMBL21602944

SCHEMBL21602944

COc1cc(OC)c(F)c(-c2cc3cnc(-c4cnn(CC5CC5)c4)nc3c(N3CCOCC3)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 6/20 0.39
▸ FGFR3 P22607 5/20 0.39
▸ KDR P35968 5/20 0.39
▸ TTK P33981 3/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ FGFR2 P21802 4/20 0.37
▸ FGFR4 P22455 4/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ MTOR P42345 3/20 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
SCHEMBL21602855 0.87 TTK (0.47) FGFR1FGFR3KDRTTKTRPM8
SCHEMBL21602957 0.82 JAK2 (0.37) FGFR1FGFR3TTKTRPM8GAK
SCHEMBL21602968 0.81 TRPM8 (0.60) TRPM8GAKPIK3CAMTOR
SCHEMBL21602956 0.80 GAK (0.37) FGFR1FGFR3TTKTRPM8GAK
SCHEMBL21602948 0.80 TRPM8 (0.43) TRPM8GAKPIK3CAMTOR
SCHEMBL21602913 0.80 TRPM8 (0.43) FGFR3TRPM8GAKMTOR
SCHEMBL21602921 0.79 FGFR1 (0.45) FGFR1TTKTRPM8GAKPIK3CD
SCHEMBL21602945 0.79 TRPM8 (0.42) FGFR3TRPM8GAKPIK3CAMTOR
SCHEMBL21602938 0.79 TTK (0.43) FGFR1FGFR3KDRTTKPIK3CD
SCHEMBL21602839 0.78 PIK3CA (0.48) TRPM8GAKPIK3CAMTOR

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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