SCHEMBL30833764

SCHEMBL30833764

Cc1n[nH]c2ccc(Nc3ncc(Br)c(Nc4ccccc4CS(N)(=O)=O)n3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.45
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 2/20 0.41
JAK1 P23458 1/20 0.41
ALK Q9UM73 2/20 0.41
ULK1 O75385 1/20 0.41
MAPK8 P45983 3/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DCLK1 O15075 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 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
SCHEMBL30833757 0.90 ALK (0.47) CDK2PTK2ALKULK1MET
SCHEMBL30833702 0.88 PTK2 (0.46) CDK1CDK2PTK2ULK1CDC7
SCHEMBL30833634 0.85 IGF1R (0.46) IGF1RMAPK8NTRK1
SCHEMBL29190628 0.85 IGF1R (0.46) IGF1RMAPK8NTRK1
SCHEMBL29190606 0.84 ALK (0.51) IGF1RCDK1CDK2KDREGFR
SCHEMBL30833742 0.82 IGF1R (0.43) IGF1RCDK1CDK2KDREGFR
SCHEMBL30833657 0.81 ZAP70 (0.43) IGF1RCDK1CDK2KDREGFR
SCHEMBL30833774 0.81 IGF1R (0.43) IGF1RCDK1CDK2KDRJAK3
SCHEMBL30833786 0.79 EGFR (0.48) IGF1RCDK1CDK2KDREGFR
SCHEMBL30833718 0.78 JAK3 (0.47) IGF1RCDK1CDK2KDREGFR

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