SCHEMBL5776445

SCHEMBL5776445

CC(Cc1cc(-c2cccc(-c3nc4ccccc4nc3-c3ccccc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.44
PDE4B Q07343 10/20 0.44
PDE4C Q08493 9/20 0.44
PDE4D Q08499 9/20 0.44
CYP2C9 P11712 12/20 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
SCHEMBL5779977 0.94 CYP2C9 (0.42) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776223 0.94 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776147 0.94 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776496 0.94 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779449 0.93 CYP2C9 (0.45) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5813767 0.90 CYP2C9 (0.46) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6219992 0.90 CYP2C9 (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5773582 0.86 CYP2C9 (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6220028 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779221 0.86 PDE4A (0.49) 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