SCHEMBL3455932

SCHEMBL3455932

COc1ccc(CNc2nc(NC3CCC(N)CC3)nc3c2nnn3C(C)C)c(O)c1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.64
CDK2 P24941 20/20 0.64
CCNE2 O96020 17/20 0.64
CCNT1 O60563 4/20 0.64
CDK9 P50750 4/20 0.64
CCNT2 O60583 3/20 0.64
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNA2 P20248 14/20 0.45
CCNA1 P78396 14/20 0.45
CDK1 P06493 2/20 0.44

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
SCHEMBL3444997 0.93 CCNE1 (0.75) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444687 0.89 CCNE1 (0.60) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445889 0.88 CCNE1 (0.55) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3446686 0.88 CDK2 (0.58) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444563 0.87 CDK2 (0.65) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444571 0.87 CCNE1 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444187 0.84 CDK2 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3443979 0.84 CDK2 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3446055 0.83 CDK2 (0.43) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2907321 0.82 CDK2 (0.56) 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