SCHEMBL7011973

SCHEMBL7011973

COc1ncc(OC(=O)Nc2ccncc2C)c2cc(C(C)=O)oc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.49
PDE4B Q07343 13/20 0.49
PDE4C Q08493 13/20 0.49
PDE4D Q08499 13/20 0.49
KDM4E B2RXH2 1/20 0.36
IL2 P60568 1/20 0.36
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL7021808 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7016224 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7015704 0.81 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020167 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7019362 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7013469 0.70 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL15432258 0.69 HPGD (0.49) KDM4EIL2ALDH1A1IKBKETBK1
SCHEMBL7017434 0.69 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7406540 0.68 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DIL2
SCHEMBL7010243 0.68 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA

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