Sugi Predict

Sugi Predict / Compounds / SCHEMBL13635212

SCHEMBL13635212

SCHEMBL13635212

Bc1c(OCc2ccc(F)cc2F)cc(C)n(-c2ccc(C(N)=O)cc2Cl)c1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.64
▸ ROCK2 O75116 1/20 0.51
▸ MAPK12 P53778 1/20 0.51
▸ MAPK11 Q15759 1/20 0.51
▸ STRADA Q7RTN6 1/20 0.51
▸ PTGER1 P34995 2/20 0.49

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
SCHEMBL4378016 0.89 MAPK14 (0.80) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4386893 0.83 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593336 0.83 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4377058 0.83 MAPK14 (0.81) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593364 0.83 MAPK14 (0.81) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635341 0.81 MAPK14 (0.68) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4377476 0.81 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473434 0.81 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4378292 0.80 MAPK14 (0.72) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593450 0.79 MAPK14 (0.88) MAPK14ROCK2MAPK12MAPK11STRADA

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-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 — — EP disclosed