SCHEMBL2659705

SCHEMBL2659705

CC(C)(O)c1ccn2c(Br)cnc2c1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.48
GABRG2 P18507 5/20 0.48
GABRB3 P28472 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA5 P31644 4/20 0.31
GABRA2 P47869 1/20 0.30

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
SCHEMBL2660015 0.83 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5739550 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL183662 0.78 MAPK9 (0.42) GABRA1GABRG2GABRB3GABRA3
SCHEMBL2659070 0.74 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5776721 0.74 KDM4E (0.32)
SCHEMBL2658781 0.73 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3
SCHEMBL2658952 0.73 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3
SCHEMBL2658693 0.73 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659092 0.72 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660285 0.72 GABRA1 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed