SCHEMBL3445463

SCHEMBL3445463

COc1cc(O)c(CNc2nc(NC3CCC(N)CC3)nc3c2nnn3C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.53
CDK2 P24941 19/20 0.53
CCNE2 O96020 6/20 0.53
CCNT1 O60563 4/20 0.53
CDK9 P50750 4/20 0.53
CCNT2 O60583 2/20 0.53
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CDK1 P06493 5/20 0.47
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
PDGFRA P16234 4/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3446070 0.90 CCNE1 (0.52) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444571 0.89 CCNE1 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444801 0.88 CCNE1 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3446551 0.86 CDK2 (0.53) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444687 0.86 CCNE1 (0.60) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445797 0.85 CCNE1 (0.70) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445542 0.84 CCNE1 (0.47) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444387 0.83 CDK2 (0.49) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445888 0.80 CCNE1 (0.52) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444724 0.80 POLB (0.43) CCNE1CDK2CCNE2CCNT1CDK9

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
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US claimed