SCHEMBL6676071

SCHEMBL6676071

COc1cccc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 1.00
MAPK11 Q15759 2/20 0.63
CYP2C9 P11712 2/20 0.62
HSPB1 P04792 1/20 0.62
ROCK2 O75116 4/20 0.58
ROCK1 Q13464 4/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PRKACA P17612 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
PRKX P51817 1/20 0.58
PRKCQ Q04759 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
MMP13 P45452 2/20 0.57

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
SCHEMBL3407266 0.86 MAPK14 (0.76) MAPK14MAPK11CYP2C9ROCK2ROCK1
SCHEMBL6658772 0.85 MAPK14 (0.74) MAPK14MAPK11CYP2C9ROCK2ROCK1
SCHEMBL5111085 0.82 MAPK14 (0.70) MAPK14MAPK11CYP2C9HSPB1ROCK2
SCHEMBL5105839 0.81 MAPK14 (0.69) MAPK14MAPK11CYP2C9HSPB1ROCK2
SCHEMBL5106068 0.81 MAPK14 (0.68) MAPK14MAPK11CYP2C9HSPB1
SCHEMBL6575551 0.81 MAPK14 (0.71) MAPK14MAPK11CYP2C9HSPB1ROCK2
SCHEMBL3524006 0.81 MAPK14 (0.67) MAPK14MAPK11CYP2C9HSPB1ROCK2
SCHEMBL5102827 0.80 MAPK14 (0.69) MAPK14MAPK11CYP2C9HSPB1
SCHEMBL5630096 0.80 MAPK14 (0.87) MAPK14MAPK11CYP2C9HSPB1
SCHEMBL5632303 0.79 MAPK14 (0.86) MAPK14MAPK11CYP2C9HSPB1

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-1435933-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032970-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed