SCHEMBL4728040

SCHEMBL4728040

COc1ccc(CNc2ncnc3c(CC(C)C)c(OC)c(NC(=O)C(F)(F)F)cc23)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 13/20 0.81
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54

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
SCHEMBL4779597 0.92 PDE11A (0.78) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4780206 0.90 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4725308 0.89 PDE11A (0.81) PDE11A
SCHEMBL4729299 0.88 PDE11A (0.80) PDE11A
SCHEMBL4725887 0.88 PDE11A (0.84) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4729127 0.85 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4780210 0.83 PDE11A (0.72) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4726826 0.83 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4725888 0.82 PDE11A (0.79) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4782785 0.82 PDE11A (0.79) PDE11APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020711-A1 QUINAZOLINE DERIVATIVE AS PHOSPHODIESTERASE INHIBITOR AND A PROCESS FOR PREPARING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-02-21 WO claimed