SCHEMBL2659604

SCHEMBL2659604

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.48
GABRG2 P18507 8/20 0.48
GABRB3 P28472 8/20 0.48
GABRA3 P34903 8/20 0.48
KMO O15229 1/20 0.38
MAPK9 P45984 4/20 0.36
GABRA5 P31644 6/20 0.36
GABRA2 P47869 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
FLT3 P36888 1/20 0.33
NTRK1 P04629 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32

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
SCHEMBL2660593 0.92 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3KMO
SCHEMBL2660454 0.91 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3KMO
SCHEMBL5430437 0.88 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2659968 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2658731 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3KMO
SCHEMBL5384206 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5396362 0.83 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3KMO
SCHEMBL2660756 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL2659499 0.82 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3MAPK9
SCHEMBL5738295 0.82 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3KMO

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