SCHEMBL4844864

SCHEMBL4844864

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.52
PLK3 Q9H4B4 9/20 0.52
PIP4K2A P48426 1/20 0.47
PIP4K2B P78356 1/20 0.47
BRD4 O60885 1/20 0.45
PLK2 Q9NYY3 8/20 0.44
AXL P30530 1/20 0.43
MAPK7 Q13164 1/20 0.43
RPS6KA3 P51812 2/20 0.42
RPS6KA6 Q9UK32 1/20 0.41
EGFR P00533 1/20 0.41
CSF1R P07333 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 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
SCHEMBL4781914 0.93 PLK1 (0.52) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL4731448 0.92 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4730180 0.91 PLK1 (0.54) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL4783694 0.90 PLK1 (0.54) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL4800861 0.88 PLK1 (0.60) PLK1PLK3BRD4PLK2RPS6KA3
SCHEMBL4729344 0.88 PLK1 (0.51) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4730395 0.88 PLK1 (0.54) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL4779878 0.87 PLK1 (0.54) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL14221000 0.87 PLK1 (0.51) PLK1PLK3PIP4K2APIP4K2BBRD4
SCHEMBL4729262 0.87 PLK1 (0.56) PLK1PLK3PIP4K2APIP4K2BBRD4

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