SCHEMBL4783506

SCHEMBL4783506

CCN1C(=O)N(C)c2cnc(Nc3cccc(C(N)=O)c3)nc2N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.57
PLK3 Q9H4B4 6/20 0.57
MAPK7 Q13164 2/20 0.51
DYRK1A Q13627 1/20 0.51
BRD4 O60885 6/20 0.49
PARP1 P09874 3/20 0.49
PLK2 Q9NYY3 5/20 0.48
CDK19 Q9BWU1 1/20 0.45
ALK Q9UM73 1/20 0.45
AURKA O14965 1/20 0.43
TAF1 P21675 2/20 0.43
IGF1R P08069 1/20 0.42
CDK2 P24941 1/20 0.41
NEK2 P51955 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
SCHEMBL4782722 0.91 PLK1 (0.60) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4887339 0.90 PLK1 (0.62) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4798215 0.88 PLK1 (0.55) PLK1PLK3MAPK7BRD4PARP1
SCHEMBL4886676 0.88 PLK1 (0.56) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4782583 0.87 PLK1 (0.55) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4782356 0.87 PLK1 (0.62) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4731693 0.86 PLK1 (0.54) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4730395 0.86 PLK1 (0.54) PLK1PLK3MAPK7BRD4PARP1
SCHEMBL4779460 0.86 PLK1 (0.54) PLK1PLK3MAPK7DYRK1ABRD4
SCHEMBL4784197 0.86 PLK1 (0.56) PLK1PLK3MAPK7DYRK1ABRD4

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