SCHEMBL4782149

SCHEMBL4782149

CCN1C(=O)N(C)c2cnc(Nc3ccccc3F)nc2N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.57
PLK3 Q9H4B4 10/20 0.57
MAPK8 P45983 6/20 0.46
MAPK9 P45984 6/20 0.46
MAPK10 P53779 6/20 0.46
MAPK14 Q16539 3/20 0.46
BRD4 O60885 3/20 0.45
FGFR4 P22455 1/20 0.44
PLK2 Q9NYY3 8/20 0.42
PLK4 O00444 1/20 0.41
GAK O14976 1/20 0.41
TTK P33981 1/20 0.41
STK33 Q9BYT3 1/20 0.41
ALK Q9UM73 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
SCHEMBL14220999 0.93 PLK1 (0.56) PLK1PLK3BRD4FGFR4PLK2
SCHEMBL4780676 0.91 PLK1 (0.54) PLK1PLK3BRD4FGFR4PLK2
SCHEMBL4846259 0.91 PLK1 (0.58) PLK1PLK3BRD4FGFR4PLK2
SCHEMBL4784080 0.90 PLK1 (0.54) PLK1PLK3MAPK8MAPK9MAPK10
SCHEMBL4804359 0.89 PLK1 (0.59) PLK1PLK3BRD4PLK2PLK4
SCHEMBL4782920 0.89 PLK1 (0.59) PLK1PLK3MAPK8MAPK9MAPK10
SCHEMBL4783987 0.89 PLK1 (0.57) PLK1PLK3BRD4PLK2PLK4
SCHEMBL14221013 0.88 PLK1 (0.54) PLK1PLK3BRD4FGFR4PLK2
SCHEMBL4781955 0.88 PLK1 (0.58) PLK1PLK3BRD4PLK2PLK4
SCHEMBL4783604 0.87 PLK1 (0.68) PLK1PLK3MAPK10BRD4PLK2

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