SCHEMBL4730180

SCHEMBL4730180

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.54
PLK3 Q9H4B4 10/20 0.54
BRD4 O60885 2/20 0.46
PLK2 Q9NYY3 9/20 0.46
MAPK7 Q13164 2/20 0.44
RPS6KA3 P51812 2/20 0.42
DYRK1A Q13627 1/20 0.42
TAF1 P21675 1/20 0.42
VRK1 Q99986 1/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 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
SCHEMBL4731448 0.94 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4783694 0.93 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729262 0.92 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4844864 0.91 PLK1 (0.52) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729344 0.90 PLK1 (0.51) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4800861 0.90 PLK1 (0.60) PLK1PLK3BRD4PLK2RPS6KA3
SCHEMBL4781914 0.90 PLK1 (0.52) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4784445 0.88 PLK1 (0.60) PLK1PLK3BRD4PLK2RPS6KA3
SCHEMBL4782049 0.87 PLK1 (0.55) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729390 0.87 PLK1 (0.56) 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