SCHEMBL4732178

SCHEMBL4732178

CCN1C(=O)N(C)c2cnc(Nc3ccc(C)c(C#N)c3)nc2N1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.52
PLK3 Q9H4B4 10/20 0.52
BRD4 O60885 3/20 0.46
PLK2 Q9NYY3 9/20 0.44
MAPK7 Q13164 2/20 0.42
NUAK1 O60285 2/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
PIK3CD O00329 1/20 0.41
PRKAB2 O43741 1/20 0.41
CCNT1 O60563 1/20 0.41
ABL1 P00519 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 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
SCHEMBL4729262 0.89 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4782801 0.89 PLK1 (0.53) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4783694 0.87 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4730774 0.86 PLK1 (0.52) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4784233 0.85 PLK1 (0.62) PLK1PLK3BRD4PLK2
SCHEMBL4730180 0.85 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4782049 0.85 PLK1 (0.55) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729390 0.85 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4731448 0.84 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4726988 0.83 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7

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