SCHEMBL2660002

SCHEMBL2660002

N#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 1.00
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 19/20 1.00
GABRA5 P31644 13/20 1.00
GABRA2 P47869 4/20 0.79

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
SCHEMBL6216906 0.88 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216469 0.86 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218706 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218302 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216588 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217955 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216383 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216689 0.83 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218544 0.83 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218383 0.83 GABRA1 (0.84) 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
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP claimed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed