SCHEMBL4782801

SCHEMBL4782801

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.53
PLK3 Q9H4B4 10/20 0.53
PLK2 Q9NYY3 9/20 0.49
MAPK7 Q13164 2/20 0.45
DYRK1A Q13627 1/20 0.45
BRD4 O60885 4/20 0.44
TAF1 P21675 2/20 0.44
PIK3CA P42336 1/20 0.44
PRKDC P78527 1/20 0.44
MAOB P27338 1/20 0.43
GRM5 P41594 1/20 0.43
PARP1 P09874 1/20 0.42
STK4 Q13043 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
SCHEMBL4729390 0.91 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4730774 0.90 PLK1 (0.52) PLK1PLK3PLK2MAPK7BRD4
SCHEMBL14221001 0.89 PLK1 (0.54) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4732178 0.89 PLK1 (0.52) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4781247 0.89 PLK1 (0.57) PLK1PLK3PLK2BRD4PIK3CA
SCHEMBL4784197 0.89 PLK1 (0.56) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4784778 0.88 PLK1 (0.54) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4729386 0.87 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4779668 0.87 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4782907 0.87 PLK1 (0.53) PLK1PLK3PLK2MAPK7DYRK1A

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