SCHEMBL30833790

SCHEMBL30833790

O=[SH](=O)NCc1ccccc1Nc1nc(Nc2ccc3c(Cl)[nH]nc3c2)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.44
NTRK1 P04629 1/20 0.42
CDK1 P06493 2/20 0.41
MAPK8 P45983 2/20 0.40
CDK19 Q9BWU1 1/20 0.39
ALK Q9UM73 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
SCHEMBL30833779 0.85 EGFR (0.48) IGF1RCDK1MAPK8CDK19ALK
SCHEMBL30833774 0.85 IGF1R (0.43) IGF1RNTRK1CDK1MAPK8CDK19
SCHEMBL30833669 0.83 ALK (0.46) ALK
SCHEMBL29190622 0.82 GLO1 (0.53) IGF1RCDK1CDK19ALK
SCHEMBL29190628 0.81 IGF1R (0.46) IGF1RNTRK1MAPK8
SCHEMBL30833634 0.81 IGF1R (0.46) IGF1RNTRK1MAPK8
SCHEMBL30833709 0.79 CDK1 (0.55) IGF1RCDK1MAPK8CDK19ALK
SCHEMBL30833768 0.79 ALK (0.46) IGF1RCDK1MAPK8CDK19ALK
SCHEMBL30833785 0.78 ALK (0.51) IGF1RALK
SCHEMBL30833628 0.75 IGF1R (0.46) IGF1RNTRK1MAPK8CDK19ALK

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