SCHEMBL3446276

SCHEMBL3446276

COc1cc(O)c(CNc2nc(NCC(C)N)nc3c2nnn3C(C)C)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.40
CCNE1 P24864 6/20 0.40
CCNE2 O96020 5/20 0.40
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK5 Q00535 5/20 0.36
CDK5R1 Q15078 5/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK1 P06493 3/20 0.35
BCDIN3D Q7Z5W3 3/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL3445883 0.91 CDK2 (0.42) CDK2CCNE1CCNE2TDP1CDK5
SCHEMBL3444461 0.90 BCDIN3D (0.39) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3445671 0.89 CDK2 (0.40) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3445635 0.88 CCNE1 (0.37) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3446206 0.83 CDK2 (0.39) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3446165 0.83 CDK1 (0.48) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3446158 0.83 CDK1 (0.48) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3445168 0.83 CDK1 (0.49) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3444193 0.82 CCNE1 (0.49) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3445225 0.81 CDK2 (0.51) CDK2CCNE1CCNE2CCNA2CCNA1

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