SCHEMBL3467447

SCHEMBL3467447

CC(C)(C)c1cnc(CCCl)o1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.43
CCNE2 O96020 14/20 0.37
CCNE1 P24864 14/20 0.37
CDK1 P06493 11/20 0.37
CCNB1 P14635 11/20 0.37
CCNB2 O95067 10/20 0.37
CCNB3 Q8WWL7 10/20 0.37
CDK4 P11802 9/20 0.37
CCND1 P24385 9/20 0.37
CCND2 P30279 5/20 0.37
CCND3 P30281 5/20 0.37
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33

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
SCHEMBL3468710 0.83 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL13827907 0.82 CDK2 (0.44) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL21325489 0.80 CDK2 (0.43) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1786450 0.80 CDK2 (0.46) CDK2CCNE2CCNE1CDK1CCNB1
Hydrochloric Acid SCHEMBL3710324 0.78 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL13188146 0.77 CDK2 (0.41) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL10268216 0.77 CDK2 (0.46) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL18613960 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL12142296 0.75 CDK2 (0.45) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL5724749 0.75 CDK2 (0.45) 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