SCHEMBL7205220

SCHEMBL7205220

CN(C)Cc1ccc(C2=NC(c3ccc(F)cc3)=C(c3ccnc(Oc4ccccc4)n3)[NH+]2[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 10/20 0.39
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL7207090 0.88 MAPK14 (0.39) MAPK14CYP1A2PIK3CA
SCHEMBL7202366 0.85 MAPT (0.42) MAPTL3MBTL1MAPK14PDE10AMEN1
SCHEMBL7202373 0.79 MAPT (0.40) MAPTL3MBTL1MAPK14PDE10AMEN1
SCHEMBL4584148 0.74 ALOX5 (0.58) MAPK14
SCHEMBL7205223 0.73 MAPT (0.39) MAPTL3MBTL1MAPK14PDE10A
SCHEMBL7208448 0.72 CNR2 (0.38) MAPTL3MBTL1MAPK14CYP1A2PIK3CA
SCHEMBL7208454 0.66 MAPK14 (0.35) MAPTL3MBTL1MAPK14MEN1CYP1A2
SCHEMBL7664199 0.64 MAPT (0.53) MAPTL3MBTL1MAPK14PDE10AMEN1
SCHEMBL6621979 0.62 MAPK14 (0.60) MAPTL3MBTL1MAPK14PDE10AMEN1
SCHEMBL6489100 0.62 MAPK14 (0.73) MAPK14PDE10A

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