SCHEMBL4782049

SCHEMBL4782049

CCN1C(=O)N(C)c2cnc(Nc3ccc4ccccc4c3)nc2N1C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.55
PLK3 Q9H4B4 10/20 0.55
MAPK7 Q13164 2/20 0.51
PLK2 Q9NYY3 9/20 0.47
BRD4 O60885 3/20 0.47
NUAK1 O60285 1/20 0.44
AURKB Q96GD4 1/20 0.44
AURKC Q9UQB9 1/20 0.44
DYRK1A Q13627 1/20 0.43
TAF1 P21675 1/20 0.43
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
MARK3 P27448 2/20 0.42
MARK4 Q96L34 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
SCHEMBL4784197 0.91 PLK1 (0.56) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4729262 0.90 PLK1 (0.56) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4798215 0.89 PLK1 (0.55) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4729386 0.89 PLK1 (0.53) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4729390 0.89 PLK1 (0.56) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4780462 0.88 PLK1 (0.53) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4731448 0.88 PLK1 (0.54) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4732607 0.88 PLK1 (0.52) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4781932 0.88 PLK1 (0.52) PLK1PLK3MAPK7PLK2BRD4
SCHEMBL4782067 0.87 PLK1 (0.52) PLK1PLK3MAPK7PLK2BRD4

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