SCHEMBL13610872

SCHEMBL13610872

COc1ccc(C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.75
ROCK2 O75116 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61
STRADA Q7RTN6 1/20 0.61

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
SCHEMBL4376585 0.89 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594306 0.89 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4380029 0.88 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593933 0.86 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4390394 0.86 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4385548 0.86 MAPK14 (1.00) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594335 0.86 MAPK14 (1.00) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4379121 0.84 MAPK14 (0.66) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL27765711 0.83 MAPK14 (0.79) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4382967 0.83 MAPK14 (0.88) MAPK14

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
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed