SCHEMBL5526294

SCHEMBL5526294

COc1cc(N=C(NC#N)NCCC2CCCCC2)ccc1-c1cnco1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.61
AAK1 Q2M2I8 3/20 0.51

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
SCHEMBL1473477 0.87 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL1473474 0.87 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL5529251 0.86 IMPDH2 (0.69) IMPDH2AAK1
SCHEMBL1474349 0.85 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL1474348 0.85 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL1474368 0.84 IMPDH2 (0.73) IMPDH2AAK1
SCHEMBL1474366 0.84 IMPDH2 (0.73) IMPDH2AAK1
SCHEMBL1473512 0.84 IMPDH2 (0.67) IMPDH2AAK1
SCHEMBL1473510 0.84 IMPDH2 (0.67) IMPDH2AAK1
SCHEMBL5613866 0.84 IMPDH2 (0.66) IMPDH2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 EP disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO disclosed