SCHEMBL2448146

SCHEMBL2448146

COc1ccc(C2=NN(C3CCN(CC(=O)N4C(=O)CCC4=O)CC3)C(=O)C2(C)C)cc1OCC(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.78
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45

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
SCHEMBL184530 0.88 PDE4B (1.00) PDE4BPDE4D
SCHEMBL183968 0.78 PDE4B (1.00) PDE4BPDE4D
SCHEMBL196373 0.78 PDE4B (1.00) PDE4BPDE4D
SCHEMBL184312 0.77 PDE4B (1.00) PDE4BPDE4D
SCHEMBL2325643 0.76 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL184520 0.75 PDE4B (1.00) PDE4BPDE4D
SCHEMBL184494 0.75 PDE4B (1.00) PDE4BPDE4D
SCHEMBL184320 0.75 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL184156 0.74 PDE4B (1.00) PDE4BPDE4D
SCHEMBL184683 0.74 PDE4B (0.83) PDE4BPDE4D

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-2148876-B1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-09-28 EP disclosed