SCHEMBL7017344

SCHEMBL7017344

COc1ncc(OC(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3CCOC3)oc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
GCK P35557 4/20 0.34
POLQ O75417 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
LMNA P02545 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL7020123 0.95 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DGCK
SCHEMBL7017103 0.86 PDE4D (0.53) PDE4APDE4BPDE4CPDE4DGCK
SCHEMBL7019218 0.79 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019051 0.78 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7017332 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7019382 0.75 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7017625 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7014973 0.72 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DGCK
SCHEMBL7015621 0.71 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015704 0.70 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D

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
EP-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP claimed