SCHEMBL5769015

SCHEMBL5769015

CC(C)(O)c1ccn2c(-c3ccnc(-c4ccc(F)cc4F)n3)cnc2n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.58
GABRG2 P18507 20/20 0.58
GABRB3 P28472 20/20 0.58
GABRA3 P34903 19/20 0.58
GABRA5 P31644 11/20 0.58
GABRA2 P47869 5/20 0.56

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
SCHEMBL5768854 0.88 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5772594 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769559 0.84 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769011 0.82 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659945 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658117 0.79 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5772109 0.78 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5767130 0.78 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5767966 0.77 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5769413 0.77 GABRA1 (0.57) 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