SCHEMBL7908336

SCHEMBL7908336

CCOC(=O)C(c1ccncc1)C(c1ccc(Br)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.38
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
FBP1 P09467 1/20 0.33

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
SCHEMBL5942886 0.90 MAPK1 (0.37) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL7996011 0.80 LMNA (0.41) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7904298 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7991279 0.80 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL7992704 0.80 F7 (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL7994826 0.78 PDE4B (0.33) PDE4APDE4BPDE4CPDE4DFBP1
SCHEMBL7911732 0.76 PDE4A (0.39) PDE4AKCNH2
SCHEMBL7367599 0.73 PDE4A (0.43) PDE4AKCNH2
SCHEMBL7908346 0.72 PDE4A (0.67) PDE4AKCNH2
SCHEMBL5942690 0.68 PDE4A (0.40) PDE4AKCNH2

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
US-6316472-B1 Heterosubstituted pyridine derivatives as PDE 4 inhibitors MERCK FROSST CANADA & CO. (CA) 2001-11-13 US disclosed
US-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed