SCHEMBL7833879

SCHEMBL7833879

CCC(CO)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.45
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 1/20 0.38
CSNK1D P48730 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL6955198 0.90 MAPK14 (0.45) MAPK14MAPTL3MBTL1
SCHEMBL6947871 0.90 MAPK14 (0.45) MAPK14MAPTL3MBTL1
SCHEMBL7805607 0.85 MAPK14 (0.49) MAPK14MAPTL3MBTL1
SCHEMBL7822968 0.80 MAPK14 (0.48) MAPK14MAPTL3MBTL1CSNK1DJAK3
SCHEMBL7078139 0.80 MAPT (0.57) MAPK14MAPTL3MBTL1CSNK1DJAK3
SCHEMBL7823149 0.77 MAPK14 (0.47) MAPK14MAPTL3MBTL1CSNK1DJAK3
SCHEMBL7819165 0.77 MAPK14 (0.52) MAPK14MAPTL3MBTL1
SCHEMBL7811422 0.76 MAPK14 (0.46) MAPK14
SCHEMBL8120061 0.75 MAPK14 (0.55) MAPK14MAPTL3MBTL1CSNK1D
SCHEMBL4584929 0.74 MAPK14 (0.56) MAPK14MAPTL3MBTL1CSNK1DJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014976-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP claimed
EP-1014976-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP claimed
WO-1999001130-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed