SCHEMBL7017332

SCHEMBL7017332

COc1ncc(OC(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(-c3cccnc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.51
PDE4B Q07343 7/20 0.51
PDE4C Q08493 7/20 0.51
PDE4D Q08499 7/20 0.51
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36
KDR P35968 1/20 0.36
RORC P51449 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
NR4A2 P43354 1/20 0.35
ABCB1 P08183 2/20 0.34
ABCC1 P33527 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL7019382 0.90 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7019218 0.81 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019051 0.80 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020123 0.76 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7017344 0.75 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7017625 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015704 0.73 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7021594 0.72 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020796 0.72 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015621 0.72 PDE4D (0.49) 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