SCHEMBL7205223

SCHEMBL7205223

CN(C)Cc1ccc(-c2[nH]c(-c3ccnc(Oc4ccccc4)n3)c(-c3ccc(F)cc3)[n+]2[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 12/20 0.39
ALOX5 P09917 2/20 0.38
PDE10A Q9Y233 1/20 0.37
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL7205342 0.88 MAPK14 (0.42) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7202369 0.85 MAPT (0.41) MAPTL3MBTL1MAPK14ALOX5PDE10A
SCHEMBL4584148 0.80 ALOX5 (0.58) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7205220 0.73 MAPT (0.40) MAPTL3MBTL1MAPK14PDE10A
SCHEMBL7208451 0.72 MAPK14 (0.40) MAPTL3MBTL1MAPK14ALOX5MAPK13
SCHEMBL4585785 0.68 ALOX5 (0.64) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7805607 0.67 MAPK14 (0.49) MAPTL3MBTL1MAPK14
SCHEMBL7206018 0.66 ALOX5 (0.64) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL6620610 0.65 MAPK14 (0.54) MAPTL3MBTL1MAPK14PDE10A
SCHEMBL7201822 0.65 MAPK14 (0.47) MAPTL3MBTL1MAPK14ALOX5MAPK13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-0994870-A4 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM (US) 2002-10-23 EP disclosed
EP-0994870-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS Smithkline Beecham (US) 2000-04-26 EP disclosed
WO-1998057966-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 WO disclosed