SCHEMBL5776217

SCHEMBL5776217

CC(CS(C)(=O)=O)c1cc(-c2cccc(-c3nc4ccccc4nc3-c3ccc(F)cc3)c2)c2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.43
CYP2C9 P11712 4/20 0.42
MAPK10 P53779 1/20 0.42
TOP1 P11387 2/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40

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
SCHEMBL5776443 0.94 PDE4A (0.45) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5779973 0.92 CYP2C9 (0.42) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5775048 0.92 CYP2C9 (0.44) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5776143 0.91 CYP2C9 (0.50) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5776493 0.91 PDE4A (0.46) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5779447 0.89 PDE4A (0.47) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5813766 0.88 PDE4A (0.51) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5779385 0.84 PDE4A (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5779217 0.83 CYP2C9 (0.48) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL5773581 0.83 CYP2C9 (0.46) MAPK14CYP2C9PDE4APDE4BPDE4C

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