SCHEMBL30680174

SCHEMBL30680174

C=C(C)C(=O)Nc1ccc(-c2ncnc(N)c2-c2ccc(Oc3nccc(C)n3)c(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ FGFR1 P11362 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ FGFR2 P21802 1/20 0.73
▸ FGFR4 P22455 1/20 0.73
▸ FGFR3 P22607 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ JAK3 P52333 13/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ MET P08581 2/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ KDR P35968 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
SCHEMBL24773300 1.00 CYP3A4 (0.73) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772971 0.93 FGFR1 (0.64) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772959 0.91 CYP3A4 (0.66) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24773386 0.90 FGFR1 (0.61) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772967 0.89 CYP3A4 (0.63) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24773303 0.88 FGFR4 (0.58) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772956 0.87 CYP3A4 (0.57) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24772738 0.87 CYP3A4 (0.56) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31213932 0.86 FGFR1 (0.66) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24773428 0.86 FGFR1 (0.57) 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
CN-117222640-A Heterocyclic compounds as FGFR inhibitors and uses thereof 先声再明医药有限公司 2023-12-12 — — CN disclosed
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