Sugi Predict

Sugi Predict / Compounds / SCHEMBL580530

SCHEMBL580530

SCHEMBL580530

Cc1cc(-c2ccccc2)nnc1Nc1ccc(Oc2ncccc2-c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.53
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ TPX2 Q9ULW0 1/20 0.50

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
SCHEMBL580811 0.89 AURKA (0.50) PDE10AAURKAAURKBTPX2
SCHEMBL580218 0.85 AURKA (0.56) PDE10AAURKAAURKB
SCHEMBL581285 0.85 AURKB (0.62) PDE10AAURKAAURKBTPX2
SCHEMBL581568 0.85 AURKA (0.48) AURKAAURKBTPX2
SCHEMBL581185 0.81 AURKA (0.44) PDE10AAURKAAURKBTPX2
SCHEMBL581105 0.80 AURKB (0.56) AURKAAURKBTPX2
SCHEMBL581094 0.80 AURKA (0.44) PDE10AAURKAAURKBTPX2
SCHEMBL581165 0.79 AURKA (0.69) PDE10AAURKAAURKBTPX2
SCHEMBL581877 0.79 PDE10A (0.50) PDE10A
SCHEMBL581910 0.78 AURKA (0.47) PDE10AAURKAAURKBTPX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 — — EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 — — EP disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 — — EP disclosed