SCHEMBL4782741

SCHEMBL4782741

CCN1C(=O)N(C)c2cnc(Nc3ccc(F)cc3C)nc2N1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.59
PLK3 Q9H4B4 8/20 0.59
PLK2 Q9NYY3 5/20 0.50
PRKDC P78527 5/20 0.46
TTK P33981 3/20 0.46
CSF1R P07333 1/20 0.46
PIK3CA P42336 1/20 0.46
BRD4 O60885 2/20 0.44
PLK4 O00444 1/20 0.43
GAK O14976 1/20 0.43
STK33 Q9BYT3 1/20 0.43
ALK Q9UM73 2/20 0.43
DCLK1 O15075 1/20 0.42
LRRK2 Q5S007 1/20 0.42
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
NEK4 P51957 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
SCHEMBL4782920 0.93 PLK1 (0.59) PLK1PLK3PLK2TTKBRD4
SCHEMBL4784278 0.91 PLK1 (0.58) PLK1PLK3PLK2TTKBRD4
SCHEMBL4783987 0.91 PLK1 (0.57) PLK1PLK3PLK2TTKBRD4
SCHEMBL4783645 0.90 PLK1 (0.56) PLK1PLK3PLK2TTKBRD4
SCHEMBL4804359 0.88 PLK1 (0.59) PLK1PLK3PLK2TTKBRD4
SCHEMBL4846259 0.87 PLK1 (0.58) PLK1PLK3PLK2PRKDCTTK
SCHEMBL4781247 0.87 PLK1 (0.57) PLK1PLK3PLK2PRKDCTTK
SCHEMBL4781955 0.86 PLK1 (0.58) PLK1PLK3PLK2TTKBRD4
SCHEMBL4782149 0.85 PLK1 (0.57) PLK1PLK3PLK2TTKBRD4
SCHEMBL4783883 0.85 PLK1 (0.59) PLK1PLK3PLK2PRKDCTTK

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