SCHEMBL5539799

SCHEMBL5539799

COc1cc(N=C(NC#N)NCc2cccc(C)c2)ccc1-c1cnco1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.74
IMPDH1 P20839 2/20 0.48

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
SCHEMBL1476108 0.92 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL1476109 0.92 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL1473834 0.86 IMPDH2 (0.64) IMPDH2IMPDH1
SCHEMBL1473831 0.86 IMPDH2 (0.64) IMPDH2IMPDH1
SCHEMBL5614121 0.85 IMPDH2 (0.65) IMPDH2
SCHEMBL5614013 0.84 IMPDH2 (0.64) IMPDH2
SCHEMBL16239574 0.84 IMPDH2 (0.63) IMPDH2IMPDH1
SCHEMBL1475444 0.83 IMPDH2 (0.63) IMPDH2
SCHEMBL1475447 0.83 IMPDH2 (0.63) IMPDH2
SCHEMBL5529251 0.83 IMPDH2 (0.69) IMPDH2IMPDH1

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-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 EP disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO disclosed