SCHEMBL4729386

SCHEMBL4729386

CCN1C(=O)N(C)c2cnc(Nc3ccc(-c4ccccc4)cc3)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.53
PLK3 Q9H4B4 10/20 0.53
PLK2 Q9NYY3 9/20 0.51
MARK3 P27448 2/20 0.46
MARK4 Q96L34 1/20 0.46
BRD4 O60885 4/20 0.45
PARP1 P09874 1/20 0.45
MAPK7 Q13164 2/20 0.45
DYRK1A Q13627 1/20 0.45
TAF1 P21675 2/20 0.44
DCLK1 O15075 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL4784197 0.94 PLK1 (0.56) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4780462 0.92 PLK1 (0.53) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4782067 0.91 PLK1 (0.52) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4782475 0.91 PLK1 (0.54) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4729390 0.91 PLK1 (0.56) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4782049 0.89 PLK1 (0.55) PLK1PLK3PLK2MARK3MARK4
SCHEMBL14221001 0.89 PLK1 (0.54) PLK1PLK3PLK2BRD4MAPK7
SCHEMBL4800962 0.87 PLK1 (0.52) PLK1PLK3PLK2MARK3BRD4
SCHEMBL4782801 0.87 PLK1 (0.53) PLK1PLK3PLK2BRD4PARP1
SCHEMBL4782907 0.87 PLK1 (0.53) PLK1PLK3PLK2BRD4MAPK7

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