SCHEMBL5524971

SCHEMBL5524971

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 10/20 0.67
AAK1 Q2M2I8 10/20 0.55
IMPDH1 P20839 2/20 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
SCHEMBL5524963 1.00 IMPDH2 (0.67) IMPDH2AAK1IMPDH1
SCHEMBL5531753 0.99 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL5531750 0.99 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL1473510 0.84 IMPDH2 (0.67) IMPDH2AAK1
SCHEMBL1473512 0.84 IMPDH2 (0.67) IMPDH2AAK1
SCHEMBL1474348 0.83 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL1474349 0.83 IMPDH2 (0.66) IMPDH2AAK1
SCHEMBL6170243 0.82 IMPDH2 (0.73) IMPDH2AAK1IMPDH1
SCHEMBL5524837 0.82 IMPDH2 (0.64) IMPDH2AAK1IMPDH1
SCHEMBL6171745 0.77 IMPDH2 (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 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