SCHEMBL6016705

SCHEMBL6016705

CCCN(CO)c1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.69
CCNE1 P24864 10/20 0.69
CCNE2 O96020 9/20 0.69
CDK1 P06493 9/20 0.65
CCNB1 P14635 6/20 0.65
CDK5 Q00535 4/20 0.65
CCNT1 O60563 1/20 0.65
PDE5A O76074 1/20 0.65
CCNA2 P20248 1/20 0.65
CDK7 P50613 1/20 0.65
CDK9 P50750 1/20 0.65
CCNH P51946 1/20 0.65
MNAT1 P51948 1/20 0.65
PDE4D Q08499 1/20 0.65
CDK5R1 Q15078 1/20 0.65
PDE10A Q9Y233 1/20 0.65
CCNB2 O95067 4/20 0.61
CCNB3 Q8WWL7 4/20 0.61
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL3332989 0.91 CDK1 (0.76) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL14071580 0.82 CDK2 (0.85) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL2364042 0.80 CDK1 (0.87) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL3680752 0.80 CCNE1 (0.82) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL6143053 0.80 CDK2 (1.00) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL1394958 0.79 CCNE2 (1.00) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL5827556 0.78 CCNE2 (0.78) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL4277404 0.78 CDK1 (1.00) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL5828748 0.77 CCNE1 (0.75) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL6016706 0.76 CDK1 (1.00) CDK2CCNE1CCNE2CDK1CCNB1

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 disclosed