SCHEMBL6016579

SCHEMBL6016579

CC(C)n1cnc2c(NCc3ccc(O)c(O)c3)nc(N3CCC[C@@H]3CO)nc21

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 0.80
CDK5 Q00535 3/20 0.78
CCNE2 O96020 1/20 0.72
CCNE1 P24864 1/20 0.72
CDK2 P24941 1/20 0.72

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
SCHEMBL6016585 1.00 CDK1 (0.80) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL13046767 0.89 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL13046771 0.88 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL1217356 0.88 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL3690226 0.88 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL3690229 0.88 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL13046769 0.87 CDK1 (0.75) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL13046772 0.86 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL3694417 0.85 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL3694825 0.85 CDK1 (1.00) CDK1CDK5CCNE2CCNE1CDK2

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-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP claimed