SCHEMBL4729262

SCHEMBL4729262

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.56
PLK3 Q9H4B4 11/20 0.56
BRD4 O60885 4/20 0.47
PLK2 Q9NYY3 10/20 0.47
MAPK7 Q13164 2/20 0.46
PIP4K2A P48426 1/20 0.45
PIP4K2B P78356 1/20 0.45
PIK3CA P42336 1/20 0.43
PRKDC P78527 1/20 0.43
DYRK1A Q13627 1/20 0.43
TAF1 P21675 2/20 0.43

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
SCHEMBL4783694 0.92 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4730180 0.92 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4784233 0.90 PLK1 (0.62) PLK1PLK3BRD4PLK2
SCHEMBL4782049 0.90 PLK1 (0.55) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4732178 0.89 PLK1 (0.52) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729390 0.89 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4731448 0.89 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4726988 0.88 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4783877 0.88 PLK1 (0.58) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4779077 0.88 PLK1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed