SCHEMBL4982152

SCHEMBL4982152

COC(=O)c1ccc(C)c(-n2c(SC)nc(=O)c(Br)c2OCc2ccc(F)cc2CN)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.51
MAPK11 Q15759 2/20 0.45
ROCK2 O75116 1/20 0.45
MAPK12 P53778 1/20 0.45
STRADA Q7RTN6 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
SCHEMBL4982763 0.88 MAPK14 (0.50) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4497444 0.88 MAPK14 (0.51) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4504739 0.85 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4514115 0.80 MAPK14 (0.70) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL13678572 0.79 MAPK14 (0.43) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5269088 0.79 MAPK14 (0.62) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5267558 0.78 MAPK14 (0.62) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5334379 0.77 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL4507620 0.76 MAPK14 (0.56) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL13603337 0.76 MAPK14 (0.47) MAPK14MAPK11ROCK2MAPK12STRADA

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-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed