SCHEMBL3141344

SCHEMBL3141344

COc1ccc(C2=NN(C3CCN(C(=O)c4cc(OCC(=O)O)ccc4C)CC3)C(=O)C2(C)C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.59
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
DNMT3A Q9Y6K1 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
SCHEMBL2327914 0.91 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2324492 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL2323746 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2330721 0.88 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2324903 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2328202 0.88 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2330938 0.87 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2324681 0.87 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL2325235 0.87 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2321036 0.87 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DDNMT3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed