SCHEMBL4668256

SCHEMBL4668256

CSc1nccc(-c2cccnc2Oc2ccc(N3Cc4ccccc4C(c4ccccc4)=N3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
TPX2 Q9ULW0 3/20 0.38
PDE10A Q9Y233 4/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL4668268 0.84 AURKB (0.37) AURKAAURKBTPX2PDE10ATEK
SCHEMBL4668233 0.80 AURKA (0.37) AURKAAURKBTPX2PDE10ATEK
SCHEMBL4794734 0.76 FEN1 (0.35) PDE10AMAPT
SCHEMBL4668559 0.75 BTK (0.36) PDE10AALDH1A1MAPT
SCHEMBL581233 0.74 AURKB (0.41) AURKAAURKBTPX2PDE10ATEK
SCHEMBL4782599 0.74 AURKA (0.44) AURKAAURKBTPX2PDE10ATEK
SCHEMBL16268810 0.73 AURKB (0.56) AURKAAURKBTPX2PDE10ATEK
SCHEMBL4669547 0.73 TEK (0.44) AURKAAURKBTPX2TEKMAPK14
SCHEMBL4669544 0.73 TEK (0.51) AURKAAURKBTPX2TEK
SCHEMBL4668530 0.71 USP2 (0.31)

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