SCHEMBL5377445

SCHEMBL5377445

CC(C)(O)c1ccn2c(-c3cccc(-c4c(F)cccc4C#N)n3)cnc2c1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.59
GABRG2 P18507 14/20 0.59
GABRB3 P28472 14/20 0.59
GABRA3 P34903 14/20 0.59
GABRA5 P31644 9/20 0.43
GABRA2 P47869 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.38
MAPK9 P45984 2/20 0.34
JAK2 O60674 3/20 0.34
TYK2 P29597 3/20 0.34

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
SCHEMBL5773860 0.85 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659412 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660283 0.83 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659106 0.82 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659271 0.80 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6366085 0.79 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5739550 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659968 0.77 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5384206 0.77 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5391498 0.76 GABRA1 (0.60) 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