SCHEMBL4701160

SCHEMBL4701160

COc1ccc(C(=O)Nc2cccnc2Cl)c2cccnc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.72
PDE4B Q07343 4/20 0.72
PDE4C Q08493 4/20 0.72
PDE4D Q08499 4/20 0.72
POLB P06746 4/20 0.62
RAB9A P51151 5/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL4701218 0.89 PDE4D (0.78) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4697930 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL450642 0.88 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL30074719 0.88 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4699020 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4702946 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4701482 0.85 KDM4E (0.71) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4698455 0.82 PDE4D (0.62) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL92611 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL155477 0.81 PDE4D (1.00) 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 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