SCHEMBL4730774

SCHEMBL4730774

CCN1C(=O)N(C)c2cnc(Nc3cccc(C#N)c3)nc2N1C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.52
PLK3 Q9H4B4 9/20 0.52
PRKDC P78527 1/20 0.47
BRD4 O60885 5/20 0.45
PARP1 P09874 2/20 0.45
MAOB P27338 1/20 0.45
GRM5 P41594 1/20 0.45
PLK2 Q9NYY3 8/20 0.45
MAPK7 Q13164 1/20 0.42
SYK P43405 1/20 0.41
ALK Q9UM73 1/20 0.41
TAF1 P21675 1/20 0.40
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL4782801 0.90 PLK1 (0.53) PLK1PLK3PRKDCBRD4PARP1
SCHEMBL4798215 0.89 PLK1 (0.55) PLK1PLK3PRKDCBRD4PARP1
SCHEMBL4730395 0.87 PLK1 (0.54) PLK1PLK3PRKDCBRD4PARP1
SCHEMBL4731693 0.87 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4779460 0.87 PLK1 (0.54) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4784197 0.86 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4781247 0.86 PLK1 (0.57) PLK1PLK3PRKDCBRD4PLK2
SCHEMBL4732178 0.86 PLK1 (0.52) PLK1PLK3PRKDCBRD4PLK2
SCHEMBL4780462 0.86 PLK1 (0.53) PLK1PLK3BRD4PARP1PLK2
SCHEMBL4784694 0.86 PLK1 (0.59) PLK1PLK3PRKDC

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