SCHEMBL30833742

SCHEMBL30833742

NS(=O)(=O)Cc1ccccc1Nc1nc(Nc2ccc3c[nH]nc3c2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.43
MAPK8 P45983 3/20 0.43
CDK1 P06493 3/20 0.43
PTK2 Q05397 3/20 0.43
CDK2 P24941 2/20 0.43
KDR P35968 2/20 0.43
ALK Q9UM73 2/20 0.43
GSK3B P49841 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43

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
SCHEMBL30833786 0.85 EGFR (0.48) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833774 0.83 IGF1R (0.43) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833734 0.82 ALK (0.49) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833660 0.82 ALK (0.43) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833764 0.82 IGF1R (0.45) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833715 0.79 SYK (0.46) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833657 0.77 ZAP70 (0.43) IGF1RMAPK8CDK1PTK2CDK2
SCHEMBL30833668 0.76 EGFR (0.52) ALKJAK2FGFR1SRCFLT3
SCHEMBL30833776 0.75 ALK (0.48) PTK2ALKMETFLT3SYK
SCHEMBL30833796 0.73 IGF1R (0.46) IGF1RMAPK8CDK1CDK2KDR

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