SCHEMBL30833747

SCHEMBL30833747

Cn1ncc2ccc(Nc3ncc(Br)c(Nc4ccccc4P(C)C)n3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.49
CDK19 Q9BWU1 4/20 0.49
SYK P43405 5/20 0.46
CDC7 O00311 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL29190613 1.00 ALK (0.49) ALKCDK19SYKCDC7DAPK3
SCHEMBL30833810 0.91 ALK (0.49) ALKCDK19SYKCDC7DAPK3
SCHEMBL29190704 0.91 ALK (0.49) ALKCDK19SYKCDC7DAPK3
SCHEMBL30429763 0.88 CDK2 (0.47) ALKCDK19SYKCDC7DAPK3
SCHEMBL30429476 0.85 PTK2 (0.48) SYKCDC7JAK2ROCK2MAP4K4
SCHEMBL29190525 0.83 ALK (0.68) ALKCDK19SYKCDC7DAPK3
SCHEMBL30833626 0.83 ALK (0.45) ALKCDK19SYKCDC7DAPK3
SCHEMBL29190581 0.83 ALK (0.45) ALKCDK19SYKCDC7DAPK3
SCHEMBL30833701 0.83 ALK (0.68) ALKCDK19SYKCDC7DAPK3
SCHEMBL29190574 0.81 ALK (0.47) ALKCDK19SYKCDC7DAPK3

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