SCHEMBL25597865

SCHEMBL25597865

Cc1cccc(Oc2ccc3c(c2)CNc2ncnc4c2c-3c(-c2ccc(NC(=O)C3=CCC3)cc2)n4C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDR P35968 4/20 0.31
▸ PPARG P37231 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL25589712 0.91 CYP3A4 (0.36) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25589611 0.88 CYP3A4 (0.38) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25589612 0.88 CYP3A4 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24992127 0.88 FGFR4 (0.39) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24992665 0.88 FGFR1 (0.49) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24992039 0.87 FGFR1 (0.44) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25589613 0.87 FGFR1 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25590359 0.86 CYP3A4 (0.34) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25589621 0.84 FGFR1 (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL25589718 0.84 CYP3A4 (0.32) 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-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 — — WO disclosed
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