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SCHEMBL5588644

SCHEMBL5588644

CCCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.Cc1cc(S(=O)(=O)C(C)(C)C)cc2c(Nc3cncc(Cl)c3)c(C(N)=O)cnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 10/20 0.46
▸ TP53 P04637 1/20 0.39
▸ CSF1R P07333 6/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ ATM Q13315 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
SCHEMBL2477404 0.94 PDE4B (0.51) PDE4BTP53CSF1RTHRBKCNH2
SCHEMBL2478780 0.93 PDE4B (0.52) PDE4BTP53CSF1RSLC2A1
SCHEMBL2509132 0.88 PDE4B (0.53) PDE4BTP53CSF1RTHRBKCNH2
SCHEMBL1276064 0.88 PDE4B (0.40) PDE4BTP53CSF1RKCNH2ATM
SCHEMBL2478118 0.86 PDE4B (0.45) PDE4BCSF1R
SCHEMBL2480619 0.84 PDE4B (0.46) PDE4BCSF1R
SCHEMBL1276400 0.83 PDE4B (0.64) PDE4BCSF1R
SCHEMBL4944904 0.82 CSF1R (0.43) PDE4BTP53CSF1R
SCHEMBL1275861 0.82 PDE4B (0.54) PDE4BCSF1R
Hydrochloric Acid SCHEMBL2478762 0.82 PDE4B (0.63) PDE4BCSF1R

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