SCHEMBL7202373

SCHEMBL7202373

Cc1csc(C2=NC(c3ccc(F)cc3)=C(c3ccnc(Oc4ccccc4)n3)[NH+]2[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 14/20 0.39
PIK3CA P42336 2/20 0.37
PDE10A Q9Y233 1/20 0.36
BRD4 O60885 3/20 0.35
BRDT Q58F21 2/20 0.35
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
PIK3CG P48736 1/20 0.33

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
SCHEMBL7208454 0.88 MAPK14 (0.35) MAPTL3MBTL1MAPK14PIK3CABRD4
SCHEMBL7202366 0.81 MAPT (0.42) MAPTL3MBTL1MAPK14PIK3CAPDE10A
SCHEMBL7205220 0.79 MAPT (0.40) MAPTL3MBTL1MAPK14PIK3CAPDE10A
SCHEMBL4584932 0.75 MAPK14 (0.46) MAPTL3MBTL1MAPK14BRD4BRDT
SCHEMBL7208448 0.68 CNR2 (0.38) MAPTL3MBTL1MAPK14PIK3CACYP1A2
SCHEMBL7207090 0.66 MAPK14 (0.39) MAPK14PIK3CACYP1A2
SCHEMBL7664199 0.64 MAPT (0.53) MAPTL3MBTL1MAPK14PIK3CAPDE10A
SCHEMBL7209162 0.64 MAPK14 (0.55) MAPTMAPK14MEN1ALDH1A1HPGD
SCHEMBL6621979 0.62 MAPK14 (0.60) MAPTL3MBTL1MAPK14PDE10ABRD4
SCHEMBL6947142 0.62 MAPK14 (0.64) MAPK14BRD4BRDT

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