SCHEMBL5776443

SCHEMBL5776443

CC(CS(C)(=O)=O)c1cc(-c2cccc(-c3nc4ccccc4nc3-c3ccccc3)c2)c2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.45
PDE4B Q07343 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
CYP2C9 P11712 9/20 0.43

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
SCHEMBL5779973 0.94 CYP2C9 (0.42) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776493 0.94 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776143 0.94 CYP2C9 (0.50) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776217 0.94 MAPK14 (0.43) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779447 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5813766 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779217 0.86 CYP2C9 (0.48) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5773581 0.85 CYP2C9 (0.46) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5775048 0.85 CYP2C9 (0.44) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776844 0.85 CYP2C9 (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP claimed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO claimed
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO disclosed