SCHEMBL7501865

SCHEMBL7501865

CCCCc1cnc(/C=C\c2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
CCNB2 O95067 3/20 0.45
CCNE2 O96020 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
CDK5 Q00535 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
DDX3X O00571 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KMT2A Q03164 3/20 0.33
AURKA O14965 2/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL5725546 0.86 CDK2 (0.45) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL5725537 0.86 CDK2 (0.45) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL7510815 0.84 MEN1 (0.39) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL6246901 0.84 CDK2 (0.47) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL6246897 0.84 CDK2 (0.47) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL5725410 0.82 CDK2 (0.59) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL5725418 0.82 CDK2 (0.59) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL5726837 0.82 CDK2 (0.59) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL7514036 0.80 CDK2 (0.38) CCNE1CDK2CCNB2CCNE2CDK1
SCHEMBL7514043 0.80 CDK2 (0.38) CCNE1CDK2CCNB2CCNE2CDK1

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
EP-1087951-A4 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP claimed
EP-1087951-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-04 EP claimed
WO-1999065884-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-23 WO claimed