SCHEMBL30833758

SCHEMBL30833758

O=[SH](=O)NCc1ccccc1Nc1nc(Nc2ccc3cnn(CCO)c3c2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.46
ALK Q9UM73 6/20 0.42
JAK3 P52333 6/20 0.42
JAK2 O60674 4/20 0.42
GSK3B P49841 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL30833777 0.86 JAK3 (0.41) SYKALKJAK3JAK2GSK3B
SCHEMBL30833715 0.86 SYK (0.46) SYKALKJAK3JAK2GSK3B
SCHEMBL29190536 0.84 ALK (0.49) SYKALKJAK3JAK2GSK3B
SCHEMBL30833671 0.84 JAK2 (0.42) SYKALKJAK3JAK2GSK3B
SCHEMBL29190630 0.84 EGFR (0.54) SYKALKJAK3JAK2GSK3B
SCHEMBL30833768 0.80 ALK (0.46) SYKALKJAK3JAK2GSK3B
SCHEMBL30833779 0.79 EGFR (0.48) SYKALKGSK3BCDK2MAPK8
SCHEMBL30833636 0.78 ALK (0.42) SYKALKJAK3JAK2GSK3B
SCHEMBL30833709 0.78 CDK1 (0.55) SYKALKGSK3BCLK2DYRK1A
SCHEMBL30833740 0.76 PTK2 (0.50) SYKJAK3JAK2GSK3BCDC7

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