SCHEMBL4780462

SCHEMBL4780462

CCN1C(=O)N(C)c2cnc(Nc3cccc(-c4ccccc4)c3)nc2N1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.53
PLK3 Q9H4B4 9/20 0.53
BRD4 O60885 3/20 0.48
PARP1 P09874 2/20 0.48
PLK2 Q9NYY3 8/20 0.47
MARK3 P27448 2/20 0.44
MARK4 Q96L34 1/20 0.44
MAPK7 Q13164 1/20 0.43
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
AURKB Q96GD4 2/20 0.40
PIK3CD O00329 1/20 0.40
AURKA O14965 1/20 0.40
DCLK1 O15075 1/20 0.40
PIK3C2G O75747 1/20 0.40
PIK3CG P48736 1/20 0.40
LRRK2 Q5S007 1/20 0.40
NUAK1 O60285 1/20 0.40
AURKC Q9UQB9 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL4729386 0.92 PLK1 (0.53) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4784197 0.92 PLK1 (0.56) PLK1PLK3BRD4PLK2MARK3
SCHEMBL4798215 0.90 PLK1 (0.55) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4731562 0.90 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4779460 0.89 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4731693 0.89 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4730395 0.89 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4779748 0.88 PLK1 (0.49) PLK1PLK3BRD4PARP1PLK2
SCHEMBL14221600 0.88 PLK1 (0.49) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4782049 0.88 PLK1 (0.55) PLK1PLK3BRD4PLK2MARK3

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