SCHEMBL4784233

SCHEMBL4784233

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.62
PLK3 Q9H4B4 5/20 0.62
BRD4 O60885 5/20 0.50
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
TTK P33981 2/20 0.46
ALK Q9UM73 1/20 0.45
PLK2 Q9NYY3 3/20 0.45
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
CLK2 P49760 1/20 0.44
RPS6KA3 P51812 1/20 0.44
NEK4 P51957 1/20 0.44
PTK2 Q05397 1/20 0.44
CAMK2G Q13555 1/20 0.44

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
SCHEMBL4730833 0.94 PLK1 (0.63) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4800861 0.92 PLK1 (0.60) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4781788 0.92 PLK1 (0.60) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4729262 0.90 PLK1 (0.56) PLK1PLK3BRD4PLK2
SCHEMBL4784445 0.90 PLK1 (0.60) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4784001 0.90 PLK1 (0.61) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4783694 0.88 PLK1 (0.54) PLK1PLK3BRD4PLK2RPS6KA3
SCHEMBL4782180 0.88 PLK1 (0.58) PLK1PLK3BRD4PSEN1PSEN2
SCHEMBL4784694 0.87 PLK1 (0.59) PLK1PLK3
SCHEMBL4731379 0.87 PLK1 (0.59) PLK1PLK3BRD4PSEN1PSEN2

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