SCHEMBL7057558

SCHEMBL7057558

COc1ccc(-c2ccncc2Cl)c2c(C(N)=O)c(C(C)=O)oc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
PDE4D Q08499 13/20 0.48
PDE4A P27815 12/20 0.48
PDE4C Q08493 12/20 0.48
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
USP30 Q70CQ3 2/20 0.34
HASPIN Q8TF76 1/20 0.34
CDK19 Q9BWU1 1/20 0.34

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
SCHEMBL7052278 0.87 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CMKNK2
SCHEMBL7051176 0.85 PDE4A (0.41) PDE4BPDE4DPDE4APDE4CCYP1A1
SCHEMBL7053044 0.84 PDE4A (0.41) PDE4BPDE4DPDE4APDE4CCCNC
SCHEMBL7055258 0.81 PDE4A (0.45) PDE4BPDE4DPDE4APDE4CMKNK1
SCHEMBL7402562 0.80 CYP1A1 (0.39) PDE4BPDE4DPDE4APDE4CCYP1A1
SCHEMBL7053150 0.80 AAK1 (0.40) PDE4BPDE4DPDE4APDE4CMKNK1
SCHEMBL7056667 0.80 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CMKNK2
SCHEMBL7048142 0.78 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CMKNK2
SCHEMBL7052696 0.78 PDE4D (0.44) PDE4BPDE4DPDE4APDE4CMKNK2
SCHEMBL7054012 0.77 IKBKB (0.39) PDE4BPDE4DPDE4APDE4CMKNK2

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-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed