SCHEMBL4668332

SCHEMBL4668332

CS(=O)(=O)c1nccc(-c2cccnc2Oc2ccc(N3N=C(c4ccccc4)c4ccccc4C3N)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.36
AURKA O14965 3/20 0.36
TPX2 Q9ULW0 3/20 0.36
PDE10A Q9Y233 5/20 0.34
TEK Q02763 1/20 0.33
MAPK10 P53779 2/20 0.32
ERN1 O75460 1/20 0.32
CYP3A4 P08684 2/20 0.32
EGFR P00533 1/20 0.32
BRAF P15056 1/20 0.32
JAK3 P52333 1/20 0.32
KCNH2 Q12809 1/20 0.32
ERBB4 Q15303 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
SCN9A Q15858 1/20 0.31
MAPT P10636 1/20 0.31

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 0.85 AURKA (0.37) AURKBAURKATPX2PDE10ATEK
SCHEMBL4668268 0.81 AURKB (0.37) AURKBAURKATPX2PDE10ATEK
SCHEMBL4667173 0.78 AURKB (0.46) AURKBAURKATPX2TEKMAPK10
SCHEMBL4667140 0.77 PDE10A (0.43) PDE10ATEK
SCHEMBL4668267 0.75 TEK (0.46) AURKBAURKATPX2TEK
SCHEMBL580553 0.75 LTA4H (0.36) AURKBAURKABRAFKCNH2
SCHEMBL581299 0.73 TEK (0.42) AURKBAURKATPX2TEKBRAF
SCHEMBL4668273 0.72 AURKB (0.48) AURKBAURKATPX2TEK
SCHEMBL4668531 0.70 TEK (0.41) AURKBAURKATPX2TEK
SCHEMBL581418 0.69 AURKA (0.39) AURKBAURKATPX2PDE10ATEK

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