SCHEMBL5524973

SCHEMBL5524973

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 16/20 0.65
IMPDH2 P12268 4/20 0.56
IMPDH1 P20839 1/20 0.54

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
SCHEMBL5531758 0.99 AAK1 (0.66) AAK1IMPDH2IMPDH1
SCHEMBL5614005 0.84 IMPDH2 (0.68) AAK1IMPDH2IMPDH1
SCHEMBL16239482 0.83 IMPDH2 (0.67) AAK1IMPDH2IMPDH1
SCHEMBL5524831 0.81 IMPDH2 (0.58) AAK1IMPDH2IMPDH1
SCHEMBL5524834 0.81 IMPDH2 (0.58) AAK1IMPDH2IMPDH1
SCHEMBL5524839 0.81 IMPDH2 (0.58) AAK1IMPDH2IMPDH1
SCHEMBL6170236 0.79 AAK1 (0.68) AAK1IMPDH2IMPDH1
SCHEMBL5531405 0.79 AAK1 (0.75) AAK1IMPDH2IMPDH1
SCHEMBL1616816 0.79 AAK1 (0.68) AAK1IMPDH2IMPDH1
SCHEMBL17783033 0.79 AAK1 (1.00) AAK1

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-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