SCHEMBL25589065

SCHEMBL25589065

C=CC(=O)Nc1ccc(-c2c3c4c(ncnc4n2CCO)NCc2cc(Oc4cccc(C)n4)ccc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 8/20 0.36
▸ MAP2K7 O14733 2/20 0.36
▸ EGFR P00533 5/20 0.35
▸ BTK Q06187 6/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ CTSC P53634 1/20 0.33

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 0.91 FGFR4 (0.39) ERBB2MAP2K7EGFRBTKFGFR1
SCHEMBL25589069 0.88 BTK (0.36) ERBB2MAP2K7EGFRBTKFGFR1
SCHEMBL25589070 0.86 MAP2K7 (0.35) ERBB2MAP2K7EGFRBTKCTSC
SCHEMBL25589067 0.86 MAP2K7 (0.35) ERBB2MAP2K7EGFRBTKCTSC
SCHEMBL25597424 0.85 MAP2K7 (0.37) MAP2K7EGFRBTKFGFR4CTSC
SCHEMBL25589708 0.85 ERBB2 (0.40) ERBB2MAP2K7EGFRBTKCTSC
SCHEMBL25597420 0.85 BTK (0.35) ERBB2MAP2K7EGFRBTKCTSC
SCHEMBL24992584 0.85 FGFR1 (0.38) ERBB2MAP2K7EGFRBTKFGFR1
SCHEMBL25598057 0.85 BTK (0.36) ERBB2MAP2K7EGFRBTKFGFR1
SCHEMBL25589193 0.85 FGFR4 (0.39) ERBB2MAP2K7EGFRBTKFGFR1

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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