SCHEMBL7205342

SCHEMBL7205342

COc1nccc(-c2[nH]c(-c3ccc(CN(C)C)cc3)[n+]([O-])c2-c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.42
ALOX5 P09917 1/20 0.40
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PRKCA P17252 2/20 0.36
CSNK1A1 P48729 2/20 0.36
CSNK1D P48730 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
MAP4K5 Q9Y4K4 2/20 0.36
HSPB1 P04792 1/20 0.36
PRKCB P05771 1/20 0.36
PRKACA P17612 1/20 0.36
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 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
SCHEMBL7205223 0.88 MAPT (0.39) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7208451 0.83 MAPK14 (0.40) MAPK14ALOX5PRKD3MAP4K4PRKCA
SCHEMBL4585785 0.79 ALOX5 (0.64) MAPK14ALOX5PRKD3MAP4K4PRKCA
SCHEMBL7202369 0.72 MAPT (0.41) MAPK14ALOX5PRKD3MAP4K4CSNK1A1
SCHEMBL7207090 0.70 MAPK14 (0.39) MAPK14ALOX5PRKD3MAP4K4PRKCA
SCHEMBL6525916 0.68 MAPK14 (0.50) MAPK14ALOX5CSNK1A1CSNK1DMAPK13
SCHEMBL4584148 0.67 ALOX5 (0.58) MAPK14ALOX5CSNK1DMAPK13MAPK12
SCHEMBL7665444 0.65 MAPK14 (0.52) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL23130352 0.63 PDPK1 (0.48) MAPK14CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8111709 0.63 MAPK14 (0.44) MAPK14ALOX5PRKD3MAP4K4PRKCA

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