SCHEMBL29063791

SCHEMBL29063791

COc1cc(C#Cc2nn(C3CN(C(=O)OC(C)(C)C)C3)c3ncnc(N)c23)cc(OC)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 20/20 0.61
▸ KDR P35968 5/20 0.61
▸ FGFR1 P11362 4/20 0.61
▸ FGFR4 P22455 4/20 0.61
▸ FGFR3 P22607 3/20 0.61
▸ BTK Q06187 1/20 0.56

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 0.94 FGFR2 (0.64) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL29063713 0.94 FGFR2 (0.64) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL15345694 0.91 FGFR2 (0.74) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL30515759 0.85 FGFR2 (0.82) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL29064253 0.85 FGFR2 (0.82) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL30291188 0.84 FGFR2 (0.77) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL15345452 0.84 FGFR2 (0.77) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL15345450 0.84 FGFR2 (0.77) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL25334838 0.81 FGFR2 (0.84) FGFR2KDRFGFR1FGFR4FGFR3
SCHEMBL30515832 0.81 FGFR2 (0.84) FGFR2KDRFGFR1FGFR4FGFR3

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
Send feedback