SCHEMBL4779748

SCHEMBL4779748

CCN1C(=O)N(C)c2cnc(Nc3cccc(-c4ccnc(C)n4)c3)nc2N1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.49
PLK3 Q9H4B4 7/20 0.49
BRD4 O60885 7/20 0.45
PARP1 P09874 2/20 0.45
CDK9 P50750 6/20 0.44
MAPK7 Q13164 1/20 0.42
PLK2 Q9NYY3 6/20 0.41
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
PDGFRB P09619 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4780462 0.88 PLK1 (0.53) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL14221592 0.87 PLK1 (0.49) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4798215 0.86 PLK1 (0.55) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4731693 0.84 PLK1 (0.54) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4779460 0.84 PLK1 (0.54) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4730395 0.84 PLK1 (0.54) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL14221600 0.84 PLK1 (0.49) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4784197 0.84 PLK1 (0.56) PLK1PLK3BRD4MAPK7PLK2
SCHEMBL4851154 0.83 PLK1 (0.49) PLK1PLK3BRD4PARP1MAPK7
SCHEMBL4784694 0.83 PLK1 (0.59) PLK1PLK3

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