SCHEMBL4070462

SCHEMBL4070462

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NC3CCC(O)CC3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.69
CA2 P00918 3/20 0.57
CDK2 P24941 3/20 0.57
CDK1 P06493 3/20 0.57
KDR P35968 3/20 0.57
CDK4 P11802 2/20 0.57
CDK7 P50613 2/20 0.57
CDK9 P50750 2/20 0.57
CCNT1 O60563 1/20 0.57
CCND1 P24385 1/20 0.57
CCNH P51946 1/20 0.57
IGF1R P08069 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNE1 P24864 1/20 0.56
KIT P10721 2/20 0.53
FLT3 P36888 2/20 0.53
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL13648587 1.00 SYK (0.69) SYKCA2CDK2CDK1KDR
SCHEMBL14498929 1.00 SYK (0.69) SYKCA2CDK2CDK1KDR
SCHEMBL4068789 0.91 SYK (0.68) SYKCA2CDK2CDK1KDR
SCHEMBL4060202 0.90 SYK (0.60) SYKCA2CDK2CDK1KDR
SCHEMBL4062092 0.89 SYK (0.66) SYKCA2CDK2CDK1KDR
SCHEMBL4064533 0.89 SYK (0.69) SYKCA2CDK2CDK1KDR
SCHEMBL4058413 0.89 SYK (0.69) SYKCA2CDK2CDK1KDR
SCHEMBL14367830 0.87 SYK (0.53) SYKKITFLT3AURKAAURKB
SCHEMBL4068613 0.87 SYK (0.62) SYKCA2CDK2CDK1KDR
SCHEMBL4059652 0.87 SYK (0.58) SYKCA2CDK2CDK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480242-C CDK-inhibiting pyrimidine compounds, method for the production thereof and use thereof as medicaments SCHERING AG (DE) 2009-04-22 CN claimed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP disclosed