SCHEMBL25589613

SCHEMBL25589613

C/C=C/C(=O)Nc1ccc(-c2c3c4c(ncnc4n2C)NCc2cc(Oc4cccc(C)n4)ccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ FGFR4 P22455 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ ABCB1 P08183 2/20 0.34
▸ JAK3 P52333 11/20 0.33
▸ JAK1 P23458 9/20 0.33
▸ JAK2 O60674 5/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL24992127 0.92 FGFR4 (0.39) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25589716 0.91 FGFR1 (0.36) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25589620 0.91 EGFR (0.38) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25589611 0.89 CYP3A4 (0.38) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL24992665 0.88 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25589612 0.88 CYP3A4 (0.37) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL24992039 0.88 FGFR1 (0.44) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25597865 0.87 CYP3A4 (0.36) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25590359 0.87 CYP3A4 (0.34) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL25589708 0.86 ERBB2 (0.40) JAK3JAK1JAK2

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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