SCHEMBL4887339

SCHEMBL4887339

CCN1C(=O)N(C)c2cnc(Nc3ccc(C(N)=O)cc3)nc2N1C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.62
MAPK7 Q13164 1/20 0.62
DYRK1A Q13627 1/20 0.62
PLK3 Q9H4B4 10/20 0.59
BRD4 O60885 3/20 0.51
TAF1 P21675 2/20 0.51
JAK3 P52333 4/20 0.50
LCK P06239 3/20 0.50
PLK2 Q9NYY3 9/20 0.49
PARP1 P09874 1/20 0.48
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 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
SCHEMBL4783506 0.90 PLK1 (0.57) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4729390 0.89 PLK1 (0.56) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4780669 0.89 PLK1 (0.59) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4782356 0.88 PLK1 (0.62) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4784126 0.88 PLK1 (0.58) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL14221001 0.87 PLK1 (0.54) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4784197 0.87 PLK1 (0.56) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL14220956 0.86 PLK1 (0.56) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4834705 0.86 PLK1 (0.54) PLK1MAPK7DYRK1APLK3BRD4
SCHEMBL4854326 0.86 PLK1 (0.67) PLK1MAPK7PLK3PLK2CDK2

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
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed