SCHEMBL5590656

SCHEMBL5590656

Cc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4ccc5cnn(C)c5c4)c3c2)cc1.Cc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc5c4CCO5)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.53
SYK P43405 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL2479197 0.89 PDE4B (0.66) PDE4B
SCHEMBL2481386 0.87 PDE4B (0.59) PDE4BSYKTHRB
SCHEMBL5590148 0.86 PDE4B (0.60) PDE4B
SCHEMBL31020762 0.83 PDE4B (0.54) PDE4B
SCHEMBL1275327 0.83 PDE4B (0.66) PDE4BSYK
SCHEMBL1276200 0.82 PDE4B (0.67) PDE4B
SCHEMBL2479181 0.80 PDE4B (0.71) PDE4B
SCHEMBL1275589 0.80 PDE4B (0.75) PDE4B
Hydrochloric Acid SCHEMBL2481486 0.79 PDE4B (0.74) PDE4B
SCHEMBL4949711 0.79 PDE4B (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501264-A 2007-01-25 JP claimed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP claimed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO claimed