SCHEMBL30515932

SCHEMBL30515932

COc1cc(C#Cc2n[nH]c3c(C#N)cnc(N)c23)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 12/20 0.35
▸ FGFR3 P22607 4/20 0.35
▸ KDR P35968 6/20 0.35
▸ FGFR1 P11362 5/20 0.35
▸ FGFR4 P22455 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ BTK Q06187 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
SCHEMBL30515943 0.84 SRC (0.37) KDRMAPTGAASRCLRRK2
SCHEMBL30515768 0.82 LRRK2 (0.38) FGFR2FGFR3FGFR1FGFR4MAPT
SCHEMBL31062042 0.80 MAPK13 (0.32) MAPT
SCHEMBL30515933 0.80 MAPT (0.34) FGFR2FGFR3KDRFGFR1FGFR4
SCHEMBL30515914 0.79 MAPT (0.31) MAPT
SCHEMBL31062036 0.78 — —
SCHEMBL30515808 0.77 FGFR2 (0.39) FGFR2FGFR3KDRFGFR1FGFR4
SCHEMBL30515840 0.76 LRRK2 (0.32) FGFR2FGFR3KDRMAPTGAA
SCHEMBL15345676 0.75 FGFR2 (0.47) FGFR2FGFR3KDRFGFR1FGFR4
SCHEMBL19993623 0.75 PLA2G2A (0.44) FGFR2FGFR3FGFR1FGFR4MAPT

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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