SCHEMBL4782583

SCHEMBL4782583

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.55
PLK3 Q9H4B4 6/20 0.55
PIK3CA P42336 1/20 0.47
PRKDC P78527 1/20 0.47
BRD4 O60885 3/20 0.45
PARP1 P09874 1/20 0.45
MAP3K5 Q99683 1/20 0.45
CSNK2A1 P68400 3/20 0.44
MAPK7 Q13164 2/20 0.44
DYRK1A Q13627 1/20 0.44
PLK2 Q9NYY3 5/20 0.43
ABL1 P00519 2/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAF1 P21675 1/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 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
SCHEMBL4886676 0.90 PLK1 (0.56) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4798215 0.89 PLK1 (0.55) PLK1PLK3PIK3CAPRKDCBRD4
SCHEMBL4783877 0.88 PLK1 (0.58) PLK1PLK3BRD4MAPK7DYRK1A
SCHEMBL4783506 0.87 PLK1 (0.57) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4779460 0.87 PLK1 (0.54) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4731693 0.87 PLK1 (0.54) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4730395 0.87 PLK1 (0.54) PLK1PLK3PRKDCBRD4PARP1
SCHEMBL4781816 0.87 PLK1 (0.56) PLK1PLK3BRD4MAPK7DYRK1A
SCHEMBL4782722 0.87 PLK1 (0.60) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4784197 0.86 PLK1 (0.56) PLK1PLK3BRD4MAPK7DYRK1A

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