SCHEMBL5614005

SCHEMBL5614005

COc1cc(NC(=NC2CCCC2)NC#N)ccc1-c1cnco1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.68
AAK1 Q2M2I8 6/20 0.58
IMPDH1 P20839 1/20 0.52

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
SCHEMBL16239482 0.99 IMPDH2 (0.67) IMPDH2AAK1IMPDH1
SCHEMBL1475380 0.93 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL1475381 0.93 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL1475383 0.93 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL5530894 0.88 IMPDH2 (0.70) IMPDH2AAK1IMPDH1
SCHEMBL5529110 0.85 IMPDH2 (0.69) IMPDH2AAK1IMPDH1
SCHEMBL16239527 0.85 IMPDH2 (0.63) IMPDH2AAK1
SCHEMBL5526296 0.84 IMPDH2 (0.63) IMPDH2AAK1IMPDH1
SCHEMBL5524973 0.84 AAK1 (0.65) IMPDH2AAK1IMPDH1
SCHEMBL5531758 0.83 AAK1 (0.66) IMPDH2AAK1IMPDH1

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-2803357-B1 Angiogenesis inhibitors UNIV JOHNS HOPKINS (US) 2020-11-18 EP disclosed
EP-2803357-A2 Angiogenesis inhibitors THE JOHNS-HOPKINS UNIVERSITY (US) 2014-11-19 EP disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed