SCHEMBL30833671

SCHEMBL30833671

CC(C)n1ncc2ccc(Nc3ncc(Br)c(Nc4ccccc4CN[SH](=O)=O)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
JAK1 P23458 2/20 0.42
ALK Q9UM73 5/20 0.41
CDK19 Q9BWU1 3/20 0.41
CDK2 P24941 2/20 0.40
GSK3B P49841 2/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
SYK P43405 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL29190630 0.84 EGFR (0.54) JAK2JAK3ALKCDK19CDK2
SCHEMBL30833758 0.84 SYK (0.46) JAK2JAK3JAK1ALKCDK19
SCHEMBL29190703 0.83 EGFR (0.49) JAK2JAK3ALKCDK19CDK2
SCHEMBL30833768 0.80 ALK (0.46) JAK2JAK3JAK1ALKCDK19
SCHEMBL30833779 0.79 EGFR (0.48) ALKCDK19CDK2GSK3BSYK
SCHEMBL30833636 0.79 ALK (0.42) JAK2JAK3JAK1ALKCDK19
SCHEMBL30833709 0.79 CDK1 (0.55) ALKCDK19GSK3BSYKCLK2
SCHEMBL30833740 0.77 PTK2 (0.50) JAK2JAK3CDK2GSK3BCDC7
SCHEMBL29190628 0.76 IGF1R (0.46) MAPK8IGF1R
SCHEMBL30833673 0.76 SYK (0.45) JAK2JAK3JAK1ALKCDK19

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