SCHEMBL3988093

SCHEMBL3988093

C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(C(=O)S(C)(C)N=O)cc2)ncc1Br

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.67
CDK2 P24941 20/20 0.67
KDR P35968 18/20 0.67
CCNB1 P14635 6/20 0.62
CCNE1 P24864 6/20 0.62
CDK4 P11802 4/20 0.50
CCNT1 O60563 2/20 0.45
CCND1 P24385 2/20 0.45
CDK9 P50750 2/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK3 Q00526 1/20 0.45

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
SCHEMBL3989327 0.88 CDK1 (0.67) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3988091 0.85 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14112842 0.84 CDK1 (0.78) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14140889 0.82 CDK1 (0.75) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983837 0.81 CDK1 (0.67) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3984790 0.81 CDK1 (0.58) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL4580255 0.81 CDK1 (0.74) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3931191 0.81 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3989325 0.80 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14112802 0.80 CDK1 (0.72) CDK1CDK2KDRCCNB1CCNE1

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