SCHEMBL4843631

SCHEMBL4843631

CCN1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCC4CC4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.77
PLK3 Q9H4B4 6/20 0.77
PLK2 Q9NYY3 3/20 0.58
PRKD3 O94806 3/20 0.58
CLK2 P49760 3/20 0.58
PTK2 Q05397 3/20 0.58
CAMK2G Q13555 3/20 0.58
CAMK2D Q13557 3/20 0.58
PRKD2 Q9BZL6 3/20 0.58
CSNK1G1 Q9HCP0 3/20 0.58
CSNK1G3 Q9Y6M4 3/20 0.58
MAP4K4 O95819 2/20 0.58
PRKCG P05129 2/20 0.58
RPS6KA3 P51812 2/20 0.58
NEK4 P51957 2/20 0.58
SRPK1 Q96SB4 1/20 0.58
BRD4 O60885 11/20 0.57
BRDT Q58F21 9/20 0.57
DAPK3 O43293 2/20 0.55
CHEK2 O96017 2/20 0.55

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
SCHEMBL4781482 0.89 PLK1 (0.76) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4784347 0.89 PLK1 (0.79) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4734567 0.88 PLK1 (0.74) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL14221439 0.87 PLK1 (1.00) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4796708 0.87 PLK1 (0.71) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4781256 0.86 PLK1 (0.85) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4731493 0.86 PLK1 (0.91) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4782668 0.85 PLK1 (0.72) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL2396979 0.83 PLK1 (0.67) PLK1PLK3PLK2PRKD3CLK2
SCHEMBL4783604 0.83 PLK1 (0.68) PLK1PLK3PLK2PRKD3CLK2

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