SCHEMBL4070490

SCHEMBL4070490

CC(C)(C)OC(=O)ON1CCN(c2ccc(Nc3ncc(C=O)c(NC4CCCC4)n3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.45
CDK6 Q00534 8/20 0.45
CCND1 P24385 7/20 0.45
CCNA2 P20248 6/20 0.45
CDK2 P24941 6/20 0.45
CCND3 P30281 6/20 0.45
CDK1 P06493 5/20 0.45
CCNB1 P14635 5/20 0.45
CDK7 P50613 5/20 0.45
CCNH P51946 5/20 0.45
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
SYK P43405 10/20 0.44
CDK12 Q9NYV4 1/20 0.42
CTSC P53634 1/20 0.41

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
SCHEMBL4068785 0.90 AURKA (0.46) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4073699 0.90 SYK (0.51) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4072937 0.89 SYK (0.51) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4182326 0.83 SYK (0.51) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4066359 0.79 SYK (0.57) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4065141 0.79 CDK4 (0.56) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4065950 0.79 SYK (0.53) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4071068 0.79 SYK (0.51) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL4063982 0.78 SYK (0.56) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL6222101 0.77 CDK4 (0.66) CDK4CCND1CCNA2CDK2CCND3

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
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed