SCHEMBL3467465

SCHEMBL3467465

CC(C)(C)c1cnc(CCSc2cnc(N)s2)o1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.76
CCNE2 O96020 13/20 0.49
CCNE1 P24864 13/20 0.49
CDK1 P06493 9/20 0.49
CCNB1 P14635 9/20 0.49
CDK4 P11802 9/20 0.49
CCND1 P24385 9/20 0.49
CCNB2 O95067 8/20 0.49
CCNB3 Q8WWL7 8/20 0.49
CCND2 P30279 5/20 0.49
CCND3 P30281 5/20 0.49
CDK9 P50750 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45

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
SCHEMBL960172 0.86 CDK2 (1.00) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL20583152 0.79 CDK2 (0.59) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL6198002 0.73 CDK2 (0.60) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL6179556 0.73 CDK2 (0.59) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL4820312 0.71 CDK2 (0.50) CDK2
SCHEMBL24557406 0.70 CDK2 (0.72) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL7137439 0.70 CDK2 (0.72) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL18613945 0.69 CDK2 (0.71) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1786450 0.69 CDK2 (0.46) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL12263957 0.69 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CCNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 WO disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed