SCHEMBL4073787

SCHEMBL4073787

CCOC(=O)Oc1cnc(Nc2ccc(N3CCCCC3)cn2)nc1NC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.51
CCND1 P24385 14/20 0.51
CDK6 Q00534 10/20 0.51
CCND3 P30281 11/20 0.50
SYK P43405 3/20 0.49
CCND2 P30279 3/20 0.48
CDK2 P24941 9/20 0.47
CCNA2 P20248 8/20 0.47
CCNT1 O60563 5/20 0.47
CDK9 P50750 5/20 0.47
CDK7 P50613 5/20 0.46
CCNH P51946 5/20 0.46
CDK1 P06493 4/20 0.46
CCNB1 P14635 4/20 0.46
TTK P33981 1/20 0.44

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
SCHEMBL4069730 0.93 CDK4 (0.57) CDK4CCND1CDK6CCND3SYK
SCHEMBL4071475 0.89 SYK (0.49) CDK4CCND1CDK6CCND3SYK
SCHEMBL4071876 0.87 CDK4 (0.56) CDK4CCND1CDK6CCND3SYK
SCHEMBL4075543 0.84 SYK (0.53) CDK4CCND1CDK6CCND3SYK
SCHEMBL4066054 0.80 CDK4 (0.67) CDK4CCND1CDK6CCND3SYK
Hydrochloric Acid SCHEMBL4066040 0.79 CDK4 (0.67) CDK4CCND1CDK6CCND3SYK
SCHEMBL4075455 0.79 SYK (0.40) CDK4CCND1CDK6CCND3SYK
SCHEMBL4068180 0.77 SYK (0.53) CDK4CCND1CDK6CCND3SYK
SCHEMBL4065784 0.76 CDK4 (0.53) CDK4CCND1CDK6CCND3SYK
SCHEMBL4065714 0.76 CDK4 (0.53) CDK4CCND1CDK6CCND3SYK

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