SCHEMBL5769458

SCHEMBL5769458

N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1

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 18/20 1.00
GABRA5 P31644 10/20 0.76
GABRA2 P47869 3/20 0.72

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
SCHEMBL7224808 0.87 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216906 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658959 0.84 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769623 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771096 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6215917 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219113 0.80 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216469 0.78 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5259868 0.77 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6216764 0.77 GABRA1 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP claimed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed