SCHEMBL4784208

SCHEMBL4784208

CCN1C(=O)N(C)c2cnc(Nc3cccc(-n4cccc4)c3)nc2N1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.52
PLK3 Q9H4B4 10/20 0.52
PLK2 Q9NYY3 8/20 0.43
MARK3 P27448 4/20 0.43
MARK4 Q96L34 2/20 0.43
BRD4 O60885 2/20 0.42
MAPK7 Q13164 1/20 0.42
PARP1 P09874 1/20 0.42
SYK P43405 1/20 0.40
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
PLK4 O00444 1/20 0.39
GAK O14976 1/20 0.39
TTK P33981 1/20 0.39
STK33 Q9BYT3 1/20 0.39

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
SCHEMBL4800962 0.91 PLK1 (0.52) PLK1PLK3PLK2MARK3BRD4
SCHEMBL4798215 0.89 PLK1 (0.55) PLK1PLK3PLK2MARK3BRD4
SCHEMBL4730395 0.87 PLK1 (0.54) PLK1PLK3PLK2MARK3BRD4
SCHEMBL4779460 0.87 PLK1 (0.54) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4731693 0.87 PLK1 (0.54) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4784197 0.86 PLK1 (0.56) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4780462 0.86 PLK1 (0.53) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4784694 0.86 PLK1 (0.59) PLK1PLK3
SCHEMBL4782734 0.85 PLK1 (0.52) PLK1PLK3PLK2MARK3MARK4
SCHEMBL4781932 0.85 PLK1 (0.52) PLK1PLK3PLK2MARK3MARK4

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