SCHEMBL4667173

SCHEMBL4667173

CN(C)CC(C)(C)CNc1nccc(-c2cccnc2Oc2ccc(N3N=C(c4ccccc4)c4ccccc4C3N)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 12/20 0.46
AURKA O14965 8/20 0.46
TEK Q02763 6/20 0.46
KDR P35968 4/20 0.46
LCK P06239 3/20 0.46
TPX2 Q9ULW0 5/20 0.38
PRKD3 O94806 2/20 0.35
MAPK9 P45984 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
GSK3B P49841 2/20 0.35
PRKD2 Q9BZL6 2/20 0.35
MAP4K4 O95819 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
CDK2 P24941 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL4668233 0.79 AURKA (0.37) AURKBAURKATEKTPX2
SCHEMBL4668332 0.78 AURKB (0.36) AURKBAURKATEKTPX2ERN1
SCHEMBL4668267 0.76 TEK (0.46) AURKBAURKATEKKDRLCK
SCHEMBL580231 0.73 AURKB (0.72) AURKBAURKATEKKDRLCK
SCHEMBL581299 0.73 TEK (0.42) AURKBAURKATEKKDRLCK
SCHEMBL4667140 0.73 PDE10A (0.43) TEKKDR
SCHEMBL4668273 0.73 AURKB (0.48) AURKBAURKATEKKDRLCK
SCHEMBL580553 0.71 LTA4H (0.36) AURKBAURKAPRKD3PRKD2
SCHEMBL4668531 0.70 TEK (0.41) AURKBAURKATEKKDRLCK
SCHEMBL581733 0.69 AURKB (0.51) AURKBAURKATEKKDRLCK

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
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed