SCHEMBL16239382

SCHEMBL16239382

COc1cc(N=C(NC#N)Nc2cccc(C(C)C)c2)ccc1-c1cnco1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.80
AAK1 Q2M2I8 1/20 0.48
IMPDH1 P20839 1/20 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
SCHEMBL1473675 0.93 IMPDH2 (0.79) IMPDH2AAK1
SCHEMBL1473676 0.93 IMPDH2 (0.79) IMPDH2AAK1
SCHEMBL5529880 0.89 IMPDH2 (0.84) IMPDH2
SCHEMBL1474100 0.87 IMPDH2 (0.81) IMPDH2IMPDH1
SCHEMBL1474101 0.87 IMPDH2 (0.81) IMPDH2IMPDH1
SCHEMBL1474078 0.86 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL1474081 0.86 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL5613824 0.86 IMPDH2 (1.00) IMPDH2
SCHEMBL5531702 0.85 IMPDH2 (0.85) IMPDH2AAK1
SCHEMBL5535695 0.84 IMPDH2 (0.76) 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 2 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