SCHEMBL4701016

SCHEMBL4701016

COc1ccc(C(=O)Nc2c(C)cccc2Cl)c2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.73
PDE4B Q07343 12/20 0.73
PDE4C Q08493 12/20 0.73
PDE4D Q08499 12/20 0.73
CHRNA7 P36544 2/20 0.52
PDE11A Q9HCR9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4699354 0.92 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL155477 0.84 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL4699020 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL4701218 0.83 PDE4D (0.78) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4702946 0.82 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4701160 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4698806 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL92611 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL450642 0.77 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL30074719 0.77 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed