SCHEMBL24772797

SCHEMBL24772797

C=CC(=O)Nc1ccc(-c2ncnc(N)c2-c2ccc(Oc3nccc(C)n3)c(F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ FGFR4 P22455 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ EGFR P00533 10/20 0.36
▸ BTK Q06187 4/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ ERBB2 P04626 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL24773303 0.86 FGFR4 (0.58) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772975 0.84 CYP3A4 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772972 0.83 FGFR4 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772963 0.82 FGFR4 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772976 0.81 CYP3A4 (0.49) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772790 0.81 FGFR4 (0.47) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772782 0.81 FGFR1 (0.48) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24773518 0.81 CYP3A4 (0.48) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772736 0.80 FGFR4 (0.57) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24773305 0.79 FGFR1 (0.47) CYP3A4CYP2D6FGFR1CYP2C9FGFR2

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-2022206939-A1 HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF 海南耀臻生物医药科技有限公司 2022-10-06 — — WO disclosed
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