Sugi Predict

Sugi Predict / Compounds / SCHEMBL4798744

SCHEMBL4798744

SCHEMBL4798744

CNc1nccc(-c2cccnc2Oc2ccc(N3Cc4ccccc4C(n4cc(C)cn4)=N3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 10/20 0.46
▸ AURKB Q96GD4 13/20 0.44
▸ AURKA O14965 9/20 0.44
▸ TPX2 Q9ULW0 5/20 0.44
▸ KDR P35968 6/20 0.40
▸ LCK P06239 4/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL4669544 0.83 TEK (0.51) TEKAURKBAURKATPX2KDR
SCHEMBL4669547 0.76 TEK (0.44) TEKAURKBAURKATPX2KDR
SCHEMBL580598 0.75 AURKB (0.67) TEKAURKBAURKATPX2KDR
SCHEMBL5318988 0.73 TEK (0.55) TEKAURKBAURKATPX2KDR
SCHEMBL4666642 0.72 TEK (0.45) TEKAURKBAURKATPX2KDR
SCHEMBL1264908 0.71 AURKB (0.52) TEKAURKBAURKATPX2KDR
SCHEMBL580385 0.70 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL581511 0.70 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL581360 0.70 TEK (0.60) TEKAURKBAURKATPX2KDR
SCHEMBL1265417 0.70 AURKB (0.55) TEKAURKBAURKATPX2KDR

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