SCHEMBL7363486

SCHEMBL7363486

O=S(=O)(Cc1ccc(F)cc1)c1ccc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.55
KCNH2 Q12809 1/20 0.44

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
SCHEMBL7366809 0.88 PDE4A (0.64) PDE4AKCNH2
SCHEMBL7393300 0.84 PDE4A (0.52) PDE4AKCNH2
SCHEMBL7991197 0.80 PDE4A (0.58) PDE4AKCNH2
SCHEMBL7366254 0.78 PDE4A (0.64) PDE4AKCNH2
SCHEMBL7359822 0.77 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7908346 0.77 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7907997 0.77 PDE4A (0.74) PDE4AKCNH2
SCHEMBL7905272 0.77 PDE4A (0.69) PDE4AKCNH2
SCHEMBL7906831 0.76 PDE4A (0.59) PDE4AKCNH2
SCHEMBL7364231 0.76 PDE4A (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189888-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS $i(PDE 4) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-03-27 EP disclosed
WO-2000069824-A1 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-23 WO disclosed