SCHEMBL4782920

SCHEMBL4782920

CCN1C(=O)N(C)c2cnc(Nc3ccc(F)cc3F)nc2N1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.59
PLK3 Q9H4B4 11/20 0.59
BRD4 O60885 3/20 0.49
PLK2 Q9NYY3 8/20 0.45
TTK P33981 2/20 0.43
PLK4 O00444 1/20 0.43
GAK O14976 1/20 0.43
STK33 Q9BYT3 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALK Q9UM73 2/20 0.43
MAPK7 Q13164 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
CLK2 P49760 1/20 0.42
RPS6KA3 P51812 1/20 0.42

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
SCHEMBL4783987 0.93 PLK1 (0.57) PLK1PLK3BRD4PLK2TTK
SCHEMBL4804359 0.93 PLK1 (0.59) PLK1PLK3BRD4PLK2TTK
SCHEMBL4782741 0.93 PLK1 (0.59) PLK1PLK3BRD4PLK2TTK
SCHEMBL4781955 0.91 PLK1 (0.58) PLK1PLK3BRD4PLK2TTK
SCHEMBL4784278 0.91 PLK1 (0.58) PLK1PLK3BRD4PLK2TTK
SCHEMBL4783645 0.90 PLK1 (0.56) PLK1PLK3BRD4PLK2TTK
SCHEMBL4782149 0.89 PLK1 (0.57) PLK1PLK3BRD4PLK2TTK
SCHEMBL14220999 0.86 PLK1 (0.56) PLK1PLK3BRD4PLK2TTK
SCHEMBL4731448 0.85 PLK1 (0.54) PLK1PLK3BRD4PLK2MAPK7
SCHEMBL4784080 0.84 PLK1 (0.54) PLK1PLK3BRD4PLK2TTK

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