SCHEMBL3425602

SCHEMBL3425602

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1ccc(C)c(-c2cccc(C=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.46
MAPK1 P28482 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL13750912 0.96 PDE4B (0.44) PDE4BMAPK1PDE3BPDE7APDE3A
SCHEMBL4347510 0.95 PDE4B (0.45) PDE4BMAPK1PDE3BPDE7APDE3A
SCHEMBL4350308 0.95 PDE4B (0.45) PDE4BMAPK1PDE3BPDE7APDE3A
SCHEMBL1362355 0.94 PDE4B (0.47) PDE4BMAPK1
SCHEMBL3430247 0.94 PDE4B (0.47) PDE4BMAPK1PDE3BPDE7APDE3A
SCHEMBL3428333 0.93 PDE4B (0.45) PDE4BMAPK1
SCHEMBL3425060 0.93 PDE4B (0.45) PDE4BMAPK1ENPP2
SCHEMBL1362984 0.93 PDE4B (0.46) PDE4BPDE3BPDE7APDE3A
SCHEMBL3426832 0.92 PDE4B (0.51) PDE4BMAPK1
SCHEMBL3428835 0.92 PDE4B (0.44) PDE4BMAPK1ENPP2

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-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed