SCHEMBL3430132

SCHEMBL3430132

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1I

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.56
PDE7A Q13946 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 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
SCHEMBL12122227 0.88 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429048 0.88 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL13605635 0.87 PDE4B (0.59) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429046 0.87 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL13612902 0.86 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL1363897 0.86 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL1363221 0.85 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL1315159 0.85 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL12118623 0.85 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
SCHEMBL13760222 0.84 PDE4B (0.56) PDE4BPDE7APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed