SCHEMBL3982426

SCHEMBL3982426

CS(C)(N=O)C(=O)c1ccc(Nc2ncc(Br)c(Nc3ccc4[nH]cnc4c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.57
▸ GSK3B P49841 1/20 0.48
▸ CHEK1 O14757 1/20 0.46
▸ NTRK2 Q16620 1/20 0.46
▸ EGFR P00533 5/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ SYK P43405 1/20 0.41

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
SCHEMBL3985391 0.89 CDK1 (0.57) CDK1GSK3BCHEK1NTRK2EGFR
SCHEMBL3982423 0.86 CDK1 (0.58) CDK1GSK3BCHEK1NTRK2EGFR
SCHEMBL3985388 0.82 CDK1 (0.57) CDK1GSK3BCHEK1NTRK2EGFR
SCHEMBL3983837 0.76 CDK1 (0.67) CDK1CDK2KDR
SCHEMBL3982312 0.74 KDR (0.68) CDK1CDK2KDR
SCHEMBL3984145 0.71 CDK1 (0.60) CDK1EGFRCDK4MAPK3
SCHEMBL3988093 0.69 CDK1 (0.67) CDK1CDK2KDRCDK4
SCHEMBL3983314 0.69 CDK1 (0.57) CDK1CDK2KDRSYK
SCHEMBL15389069 0.69 CDK1 (0.67) CDK1CDK2CDK4MAPK3SYK
SCHEMBL6212019 0.67 PTK2 (0.61) CDK1KDRFGFR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 — — EP disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 — — WO disclosed
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