SCHEMBL5769736

SCHEMBL5769736

FC(F)(F)c1ccn2c(-c3cccc(-n4cncn4)n3)cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.67
GABRG2 P18507 19/20 0.67
GABRB3 P28472 19/20 0.67
GABRA3 P34903 17/20 0.67
GABRA5 P31644 6/20 0.44
GABRA2 P47869 1/20 0.39

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
SCHEMBL5769302 0.81 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5770436 0.81 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7224173 0.80 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5770336 0.79 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771331 0.78 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658756 0.77 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5770607 0.77 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771111 0.77 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5767960 0.76 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659449 0.76 GABRA1 (0.62) 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