SCHEMBL30442682

SCHEMBL30442682

COc1cc(OC)c(F)c(-c2cc3cnc(SC)nc3c(N3CCC3)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE4B Q07343 4/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ PDE11A Q9HCR9 2/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ FGFR4 P22455 2/20 0.35
▸ GAK O14976 1/20 0.33
▸ MAP4K1 Q92918 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ FGFR3 P22607 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
SCHEMBL29578428 0.91 PDE4B (0.45) NOS1PDE4BPDE4APDE4CPDE4D
SCHEMBL20331765 0.91 PDE4B (0.45) NOS1PDE4BPDE4APDE4CPDE4D
SCHEMBL20331791 0.89 PDE4B (0.35) NOS1MEN1KMT2APDE4BPDE4A
SCHEMBL29577481 0.89 TTK (0.38) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21240619 0.89 TTK (0.38) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21252148 0.88 MEN1 (0.39) NOS1MEN1KMT2APDE4BPDE4A
SCHEMBL30046092 0.88 TTK (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331784 0.88 TTK (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21240537 0.87 NOS1 (0.36) NOS1MEN1KMT2APDE4BPDE4A
SCHEMBL29578158 0.87 NOS1 (0.36) NOS1MEN1KMT2APDE4BPDE4A

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-111868058-B FGFR inhibitor, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-06-13 — — CN disclosed
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