SCHEMBL17022871

SCHEMBL17022871

COc1ccc(C2=NN(C3CCN(C(=O)c4cc[c]cc4)CC3)C(=O)C2(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.66
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47

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
SCHEMBL2377569 0.91 PDE4B (0.70) PDE4B
SCHEMBL2331341 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL17022880 0.90 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2320691 0.89 PDE4B (0.66) PDE4B
SCHEMBL2327668 0.87 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2328884 0.86 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2323566 0.86 PDE4B (0.64) PDE4B
SCHEMBL2325835 0.86 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL2325943 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2324132 0.85 PDE4B (0.63) PDE4B

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
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP claimed