SCHEMBL6576095

SCHEMBL6576095

CCn1cnc2c(Nc3cccc(NC(=O)OCC(C)C)c3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.69
PRKCA P17252 2/20 0.57
PDGFRA P16234 5/20 0.54
CCNE1 P24864 5/20 0.54
CDK2 P24941 5/20 0.54
CCNB2 O95067 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
EGFR P00533 1/20 0.51

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
SCHEMBL6576100 1.00 CDK1 (0.69) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576012 0.92 CDK1 (0.69) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576016 0.92 CDK1 (0.69) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576122 0.91 CDK1 (0.77) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576120 0.91 CDK1 (0.77) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576952 0.87 CDK1 (0.74) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576948 0.87 CDK1 (0.74) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6574952 0.83 CDK1 (0.83) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6574948 0.83 CDK1 (0.83) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL6576857 0.83 CDK1 (0.77) CDK1PRKCAPDGFRACCNE1CDK2

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 1 patent. 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 disclosed