SCHEMBL2659945

SCHEMBL2659945

CC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(F)cc4F)n3)cnc2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.47
GABRG2 P18507 5/20 0.47
GABRB3 P28472 5/20 0.47
GABRA3 P34903 5/20 0.47
MAPK9 P45984 12/20 0.39
CSNK1D P48730 9/20 0.39
MAP4K4 O95819 8/20 0.39
MINK1 Q8N4C8 7/20 0.39
CSNK1A1 P48729 7/20 0.39
PRKD2 Q9BZL6 4/20 0.39
MAP4K5 Q9Y4K4 3/20 0.39
MAPK14 Q16539 2/20 0.39
PRKD3 O94806 7/20 0.38
MAPK8 P45983 6/20 0.38
CSNK1G3 Q9Y6M4 5/20 0.38
TAOK1 Q7L7X3 4/20 0.38
GSK3B P49841 4/20 0.38
CSNK1G2 P78368 4/20 0.38
PRKCG P05129 1/20 0.38
EPHA2 P29317 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
SCHEMBL5380990 0.88 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5385996 0.87 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5396362 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5391496 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2660756 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2658731 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2660454 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5738295 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5769015 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659604 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP claimed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP claimed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO claimed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed