SCHEMBL5380990

SCHEMBL5380990

CC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(F)cc4C#N)n3)cnc2c1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.54
GABRG2 P18507 18/20 0.54
GABRB3 P28472 18/20 0.54
GABRA3 P34903 15/20 0.54
GABRA5 P31644 10/20 0.47
GABRA2 P47869 5/20 0.47
PDK2 Q15119 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
SCHEMBL2660283 0.88 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659945 0.88 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5738200 0.86 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5396493 0.85 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5384321 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659968 0.84 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5384206 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5385996 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659412 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768854 0.83 GABRA1 (0.69) 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 3 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-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed