SCHEMBL3446759

SCHEMBL3446759

CC(O)CNc1nc(NCc2ccc(Cl)c(O)c2O)c2nnn(C(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.44
CDK1 P06493 4/20 0.44
CDK9 P50750 4/20 0.41
CCNE1 P24864 8/20 0.41
CDK5 Q00535 5/20 0.41
CDK5R1 Q15078 4/20 0.41
CCNT1 O60563 3/20 0.41
FLT3 P36888 3/20 0.38
CDK7 P50613 2/20 0.37
CCNH P51946 2/20 0.37
CCNE2 O96020 2/20 0.36
CCNT2 O60583 1/20 0.36
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL3445204 0.91 CDK2 (0.41) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3455221 0.89 CDK2 (0.43) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3446777 0.88 CDK2 (0.41) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3445047 0.87 CDK2 (0.43) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3446239 0.85 CDK2 (0.43) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3446851 0.84 CDK1 (0.51) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3446853 0.84 CDK1 (0.51) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3446730 0.83 CDK2 (0.53) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3444540 0.82 CDK2 (0.52) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL3445889 0.81 CCNE1 (0.55) CDK2CDK1CDK9CCNE1CDK5

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