SCHEMBL30833783

SCHEMBL30833783

Cn1ncc2cc(Nc3ncc(Cl)c(Nc4ccccc4CN[SH](=O)=O)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.47
MAP3K7 O43318 2/20 0.45
TRPM5 Q9NZQ8 1/20 0.45
CDK2 P24941 4/20 0.44
CDK9 P50750 3/20 0.44
EGFR P00533 2/20 0.44
CDC7 O00311 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44

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
SCHEMBL30833714 0.85 ALK (0.46) SYKCDK2CDK9EGFRCDC7
SCHEMBL29190658 0.83 ALK (0.59) EGFRALKMETFLT3
SCHEMBL31251206 0.81 EGFR (0.63) EGFRALK
SCHEMBL30833700 0.81 KDR (0.52) SYKCDK2CDK9EGFRDAPK3
SCHEMBL30833740 0.81 PTK2 (0.50) SYKCDK2CDK9CDC7JAK2
SCHEMBL16966032 0.79 INSR (0.53) MAP3K7CDK2CDK9EGFRCCNA2
SCHEMBL30833711 0.79 CDK2 (0.42) SYKMAP3K7CDK2CDK9EGFR
SCHEMBL30833669 0.78 ALK (0.46) SYKCDK2CDK9ULK1CCNA2
SCHEMBL30833661 0.78 ALK (0.46) CDK2CDK9ULK1CCNA2CCNK
SCHEMBL16966003 0.78 MET (0.46) MAP3K7CDK2CDK9EGFRCCNA2

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed