SCHEMBL7202369

SCHEMBL7202369

CSc1ccc(-c2[nH]c(-c3ccnc(Oc4ccccc4)n3)c(-c3ccc(F)cc3)[n+]2[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 17/20 0.40
PDE10A Q9Y233 1/20 0.39
GCGR P47871 3/20 0.35
MAPK13 O15264 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
ALOX5 P09917 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MATK P42679 1/20 0.35
FRK P42685 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL7208451 0.88 MAPK14 (0.40) MAPTL3MBTL1MAPK14GCGRMAPK13
SCHEMBL7205223 0.85 MAPT (0.39) MAPTL3MBTL1MAPK14PDE10AMAPK13
SCHEMBL4584929 0.79 MAPK14 (0.56) MAPTL3MBTL1MAPK14GCGRMAPK13
SCHEMBL7205342 0.72 MAPK14 (0.42) MAPK14MAPK13PRKD3MAP4K4LCK
SCHEMBL7202366 0.72 MAPT (0.42) MAPTL3MBTL1MAPK14PDE10AGCGR
SCHEMBL7805607 0.69 MAPK14 (0.49) MAPTL3MBTL1MAPK14BRD4BRDT
SCHEMBL6620610 0.67 MAPK14 (0.54) MAPTL3MBTL1MAPK14PDE10APIK3CA
SCHEMBL7201822 0.67 MAPK14 (0.47) MAPTL3MBTL1MAPK14GCGRMAPK13
SCHEMBL8120061 0.66 MAPK14 (0.55) MAPTL3MBTL1MAPK14MAPK13MAPK9
SCHEMBL4586510 0.66 MAPK14 (0.61) MAPK14GCGRMAPK13PRKD3MAP4K4

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