SCHEMBL29063713

SCHEMBL29063713

COc1cc(C#Cc2nn(C3CCN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)cc(OC)n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 18/20 0.64
▸ FGFR1 P11362 4/20 0.64
▸ FGFR4 P22455 4/20 0.64
▸ FGFR3 P22607 3/20 0.64
▸ KDR P35968 6/20 0.63
▸ BTK Q06187 1/20 0.63
▸ SRC P12931 2/20 0.51
▸ EGFR P00533 1/20 0.51

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
SCHEMBL25334219 1.00 FGFR2 (0.64) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL29063791 0.94 FGFR2 (0.61) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL15345450 0.91 FGFR2 (0.77) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL30291188 0.91 FGFR2 (0.77) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL15345452 0.91 FGFR2 (0.77) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL15345598 0.87 FGFR2 (0.60) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL15345597 0.87 FGFR2 (0.60) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL25334838 0.86 FGFR2 (0.84) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL30515832 0.86 FGFR2 (0.84) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL25334852 0.86 FGFR2 (0.84) FGFR2FGFR1FGFR4FGFR3KDR

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-116514806-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-08-01 — — CN disclosed
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