SCHEMBL3445797

SCHEMBL3445797

COc1cccc(CNc2nc(NC3CCC(N)CC3)nc3c2nnn3C)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 18/20 0.70
CDK2 P24941 18/20 0.70
CCNE2 O96020 9/20 0.70
CCNT1 O60563 4/20 0.70
CDK9 P50750 4/20 0.70
CCNT2 O60583 3/20 0.70
POLB P06746 1/20 0.48
CDK1 P06493 6/20 0.48
CCNA2 P20248 5/20 0.46
CCNA1 P78396 5/20 0.46
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNB2 O95067 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
FLT3 P36888 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL3444687 0.92 CCNE1 (0.60) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445169 0.90 CDK2 (0.69) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444997 0.89 CCNE1 (0.75) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445656 0.87 CDK2 (0.71) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL15118198 0.86 CCNE1 (0.81) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445463 0.85 CCNE1 (0.53) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444248 0.84 CDK2 (0.51) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444865 0.83 CCNE1 (0.51) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL15117834 0.83 CCNE1 (0.78) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3446265 0.83 CDK2 (0.65) 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