SCHEMBL4698806

SCHEMBL4698806

COc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)c2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.69
PDE4B Q07343 11/20 0.69
PDE4C Q08493 11/20 0.69
PDE4D Q08499 11/20 0.69
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
LMNA P02545 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 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
SCHEMBL450642 0.85 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL30074719 0.85 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL155477 0.81 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4701218 0.80 PDE4D (0.78) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4756526 0.80 PDE4D (0.60) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4701016 0.80 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL92611 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4701160 0.79 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4699020 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5022909 0.77 KMT2A (0.55) PDE4APDE4BPDE4CPDE4DNPC1

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 2 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