SCHEMBL28675253

SCHEMBL28675253

CC(C)(O)Cn1cc(-c2ccc(OC(N)=O)cc2)c2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 8/20 0.39
▸ TEK Q02763 7/20 0.39
▸ SRC P12931 6/20 0.39
▸ NEK7 Q8TDX7 1/20 0.39
▸ RET P07949 1/20 0.38
▸ KDR P35968 6/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ FLT3 P36888 4/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL28677115 0.85 SRC (0.54) LCKTEKSRCKDRCA12
SCHEMBL30569263 0.79 MAP4K4 (0.42) LCKSRCFLT3
SCHEMBL28898414 0.76 RIPK2 (0.52) LCKTEKSRCKDRRIPK2
SCHEMBL30569254 0.75 LCK (0.42) LCKTEKSRCCA12CA1
SCHEMBL22418432 0.73 BTK (0.44) LCKSRCRETRIPK2BTK
SCHEMBL30569295 0.72 RET (0.56) LCKTEKSRCNEK7RET
SCHEMBL24072613 0.71 ADK (0.43) SRCRET
SCHEMBL23966790 0.70 RET (0.54) LCKTEKSRCNEK7RET
SCHEMBL30180780 0.70 RET (0.54) LCKTEKSRCNEK7RET
SCHEMBL18045177 0.70 ADK (0.44) SRCRETFLT3

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-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 — — CN disclosed
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