SCHEMBL4784126

SCHEMBL4784126

CCN1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCCCC4)cc3)nc2N1C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.58
PLK3 Q9H4B4 9/20 0.58
BRD4 O60885 5/20 0.51
BRDT Q58F21 2/20 0.51
TAF1 P21675 2/20 0.50
MAPK7 Q13164 3/20 0.49
DYRK1A Q13627 1/20 0.49
LRRK2 Q5S007 3/20 0.46
PLK2 Q9NYY3 8/20 0.45
DCLK1 O15075 1/20 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
SCHEMBL4780669 0.99 PLK1 (0.59) PLK1PLK3BRD4BRDTTAF1
SCHEMBL14220956 0.93 PLK1 (0.56) PLK1PLK3BRD4BRDTTAF1
SCHEMBL4887339 0.88 PLK1 (0.62) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4729390 0.86 PLK1 (0.56) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL14221001 0.84 PLK1 (0.54) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4784197 0.84 PLK1 (0.56) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4834705 0.83 PLK1 (0.54) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4729386 0.83 PLK1 (0.53) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4782801 0.83 PLK1 (0.53) PLK1PLK3BRD4TAF1MAPK7
SCHEMBL4779668 0.83 PLK1 (0.53) PLK1PLK3BRD4TAF1MAPK7

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