SCHEMBL6574829

SCHEMBL6574829

CCn1cnc2c(Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.70
SRC P12931 1/20 0.55
PRKCA P17252 1/20 0.51
PDGFRA P16234 5/20 0.50
CCNE1 P24864 5/20 0.50
CDK2 P24941 5/20 0.50
CCNB2 O95067 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL6574832 1.00 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576046 0.93 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576038 0.93 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576044 0.93 CDK1 (0.71) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6577037 0.92 CDK1 (0.69) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6577043 0.92 CDK1 (0.69) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576025 0.91 CDK1 (0.66) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576013 0.91 CDK1 (0.66) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576918 0.91 CDK1 (0.68) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576921 0.91 CDK1 (0.68) CDK1SRCPRKCAPDGFRACCNE1

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-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed