SCHEMBL7020123

SCHEMBL7020123

COc1ncc(OC(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3CCOCC3)oc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.51
PDE4A P27815 8/20 0.51
PDE4B Q07343 8/20 0.51
PDE4C Q08493 8/20 0.51
MALT1 Q9UDY8 1/20 0.33
GCK P35557 2/20 0.33
LMNA P02545 1/20 0.33
PIK3CA P42336 4/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
STAT3 P40763 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL7017344 0.95 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CMALT1
SCHEMBL7017103 0.91 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CMALT1
SCHEMBL7019218 0.81 PDE4B (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7019051 0.80 PDE4B (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL7019382 0.76 PDE4B (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL7017332 0.76 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL7017625 0.76 PDE4A (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7015621 0.72 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7011316 0.71 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL7015704 0.71 PDE4D (0.59) PDE4DPDE4APDE4BPDE4C

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