SCHEMBL30833777

SCHEMBL30833777

O=[SH](=O)NCc1ccccc1Nc1nc(Nc2ccc3cn(CCO)nc3c2)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.41
ALK Q9UM73 6/20 0.41
JAK2 O60674 4/20 0.41
GSK3B P49841 2/20 0.41
SYK P43405 2/20 0.41
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL30833768 0.89 ALK (0.46) JAK3ALKJAK2GSK3BSYK
SCHEMBL30833758 0.86 SYK (0.46) JAK3ALKJAK2GSK3BSYK
SCHEMBL30833660 0.85 ALK (0.43) JAK3ALKJAK2GSK3BSYK
SCHEMBL29190569 0.83 ALK (0.49) JAK3ALKJAK2GSK3BSYK
SCHEMBL30833779 0.82 EGFR (0.48) ALKGSK3BSYKCDK2MAPK8
SCHEMBL29190630 0.80 EGFR (0.54) JAK3ALKJAK2GSK3BSYK
SCHEMBL30833709 0.77 CDK1 (0.55) ALKGSK3BSYKCLK2DYRK1A
SCHEMBL30833790 0.77 IGF1R (0.44) ALKMAPK8CDK19IGF1R
SCHEMBL30833671 0.77 JAK2 (0.42) JAK3ALKJAK2GSK3BSYK
SCHEMBL30833735 0.76 EGFR (0.52) JAK3JAK2EGFR

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