SCHEMBL4729344

SCHEMBL4729344

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.51
PLK3 Q9H4B4 9/20 0.51
BRD4 O60885 2/20 0.44
PLK2 Q9NYY3 8/20 0.43
STK17A Q9UEE5 1/20 0.43
EGFR P00533 1/20 0.42
CSF1R P07333 1/20 0.42
MAPK7 Q13164 2/20 0.42
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
CYP3A4 P08684 1/20 0.41
JAK1 P23458 1/20 0.41
RPS6KA3 P51812 2/20 0.40
LCK P06239 1/20 0.40
TAF1 P21675 1/20 0.40
DYRK1A Q13627 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
SCHEMBL4731448 0.91 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4730180 0.90 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4782180 0.90 PLK1 (0.58) PLK1PLK3BRD4PLK2EGFR
SCHEMBL4844864 0.88 PLK1 (0.52) PLK1PLK3BRD4PLK2STK17A
SCHEMBL4783694 0.88 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4800861 0.87 PLK1 (0.60) PLK1PLK3BRD4PLK2EGFR
SCHEMBL4781914 0.86 PLK1 (0.52) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4729262 0.85 PLK1 (0.56) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4784445 0.85 PLK1 (0.60) PLK1PLK3BRD4PLK2JAK3
SCHEMBL4782049 0.84 PLK1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed