SCHEMBL30833770

SCHEMBL30833770

Cc1cc(Nc2ncc(Br)c(Nc3ccccc3CN[SH](=O)=O)n2)cc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.42
MAPK8 P45983 2/20 0.40
ALK Q9UM73 4/20 0.39
CDK19 Q9BWU1 2/20 0.39
ZAP70 P43403 1/20 0.39
PAK4 O96013 2/20 0.39
PLK4 O00444 1/20 0.39
ULK1 O75385 1/20 0.39
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
CDC7 O00311 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL30833657 0.85 ZAP70 (0.43) IGF1RMAPK8ALKCDK19ZAP70
SCHEMBL29190671 0.82 EGFR (0.49) IGF1RALKZAP70ULK1EGFR
SCHEMBL30833636 0.82 ALK (0.42) IGF1RMAPK8ALKCDK19PAK4
SCHEMBL30833634 0.81 IGF1R (0.46) IGF1RMAPK8
SCHEMBL29190628 0.81 IGF1R (0.46) IGF1RMAPK8
SCHEMBL30833790 0.76 IGF1R (0.44) IGF1RMAPK8ALKCDK19
SCHEMBL30833797 0.76 ALK (0.44) IGF1RALKEGFRJAK3
SCHEMBL30833779 0.76 EGFR (0.48) IGF1RMAPK8ALKCDK19ULK1
SCHEMBL30833709 0.75 CDK1 (0.55) IGF1RMAPK8ALKCDK19ULK1
SCHEMBL30833628 0.71 IGF1R (0.46) IGF1RMAPK8ALKCDK19

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