SCHEMBL7053044

SCHEMBL7053044

COc1ccc(-c2ccncc2)c2c(C(N)=O)c(C(C)=O)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
ERN1 O75460 1/20 0.41
IKBKB O14920 1/20 0.37
CDC7 O00311 2/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK2 Q9HBH9 3/20 0.36
MKNK1 Q9BUB5 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL7051106 0.87 IKBKB (0.41) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7053150 0.84 AAK1 (0.40) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7057558 0.84 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DCCNC
SCHEMBL7052278 0.81 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7055267 0.81 LMNA (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7360181 0.80 AAK1 (0.37) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7055258 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7056722 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7054012 0.79 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL7051176 0.78 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed