SCHEMBL5771903

SCHEMBL5771903

CC(C)(F)c1ccn2c(Br)cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.47
GABRG2 P18507 20/20 0.47
GABRB3 P28472 20/20 0.47
GABRA3 P34903 18/20 0.47
GABRA5 P31644 8/20 0.37
GABRA2 P47869 1/20 0.36

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
SCHEMBL6221519 0.90 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5261894 0.87 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219147 0.87 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5772206 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769238 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218533 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6217329 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768203 0.77 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769142 0.76 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6219080 0.76 GABRA1 (0.36) 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 disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed