SCHEMBL3430624

SCHEMBL3430624

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)NCc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.54
LMNA P02545 1/20 0.40
MAPK1 P28482 3/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3423919 0.95 PDE4B (0.54) PDE4BLMNAMAPTTP53
SCHEMBL3428989 0.93 PDE4B (0.56) PDE4BLMNAMAPK1MAPTTP53
SCHEMBL13760350 0.92 PDE4B (0.52) PDE4BLMNATP53
SCHEMBL8011333 0.91 PDE4B (0.54) PDE4BMAPK1
SCHEMBL1362378 0.91 PDE4B (0.54) PDE4BLMNAMAPK1MAPT
SCHEMBL1435171 0.91 PDE4B (0.66) PDE4BMAPK1
SCHEMBL3428603 0.89 PDE4B (0.50) PDE4B
SCHEMBL8002776 0.88 PDE4B (0.49) PDE4BMAPK1
SCHEMBL7999785 0.88 PDE4B (0.49) PDE4BMAPK1
SCHEMBL3426832 0.87 PDE4B (0.51) PDE4BMAPK1

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