SCHEMBL2659968

SCHEMBL2659968

CC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(C#N)c(F)c4)n3)cnc2c1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.59
GABRG2 P18507 10/20 0.59
GABRB3 P28472 10/20 0.59
GABRA3 P34903 10/20 0.59
GABRA5 P31644 6/20 0.41
GABRA2 P47869 3/20 0.40
CYP11B2 P19099 8/20 0.37
CYP11B1 P15538 7/20 0.37
EGLN2 Q96KS0 1/20 0.37
MAPK9 P45984 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
SCHEMBL5384206 0.93 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660454 0.89 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659499 0.87 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659604 0.86 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5382395 0.85 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660593 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5380990 0.84 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658731 0.82 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5430437 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659945 0.78 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5

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