SCHEMBL4780034

SCHEMBL4780034

COc1ccc(CNc2ncnc3c(CCO)c(OC)c(N(C)C(=O)C(C)C)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 12/20 0.84
PDE4A P27815 1/20 0.84
PDE4B Q07343 1/20 0.84
PDE4C Q08493 1/20 0.84
PDE4D Q08499 1/20 0.84

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
SCHEMBL4726261 0.91 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4779620 0.90 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4729895 0.88 PDE11A (0.82) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4726767 0.85 PDE11A (0.88) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4727656 0.84 PDE11A (0.84) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4725788 0.84 PDE11A (0.89) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4780617 0.84 PDE11A (1.00) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL12554899 0.83 PDE11A (0.85) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL8218242 0.83 PDE11A (0.85) PDE11APDE4APDE4BPDE4CPDE4D
SCHEMBL4726254 0.82 PDE11A (0.78) 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 2 patents. 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
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 disclosed