SCHEMBL4779988

SCHEMBL4779988

CCN1C(=O)N(C)c2cnc(Nc3c(C)cccc3C)nc2N1C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.57
PLK3 Q9H4B4 14/20 0.57
PLK2 Q9NYY3 11/20 0.44
BRD4 O60885 2/20 0.41
TAF1 P21675 1/20 0.41
TTK P33981 2/20 0.40
ALK Q9UM73 1/20 0.40
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
CLK2 P49760 1/20 0.39
RPS6KA3 P51812 1/20 0.39
NEK4 P51957 1/20 0.39
PTK2 Q05397 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39

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
SCHEMBL4784080 0.90 PLK1 (0.54) PLK1PLK3PLK2BRD4TTK
SCHEMBL4846259 0.89 PLK1 (0.58) PLK1PLK3PLK2BRD4TTK
SCHEMBL4782392 0.89 PLK1 (0.62) PLK1PLK3PLK2BRD4TAF1
SCHEMBL4784197 0.87 PLK1 (0.56) PLK1PLK3PLK2BRD4TAF1
SCHEMBL4798215 0.86 PLK1 (0.55) PLK1PLK3PLK2BRD4
SCHEMBL4729390 0.85 PLK1 (0.56) PLK1PLK3PLK2BRD4TAF1
SCHEMBL4729262 0.85 PLK1 (0.56) PLK1PLK3PLK2BRD4TAF1
SCHEMBL14220999 0.84 PLK1 (0.56) PLK1PLK3PLK2BRD4TTK
SCHEMBL4781984 0.84 PLK1 (0.56) PLK1PLK3PLK2BRD4TTK
SCHEMBL4731693 0.84 PLK1 (0.54) PLK1PLK3PLK2BRD4

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