SCHEMBL6217604

SCHEMBL6217604

FCc1ccn2c(Br)cnc2n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34

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
SCHEMBL6217582 0.73 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5261894 0.72 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3
SCHEMBL6221519 0.70 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5771903 0.70 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3
SCHEMBL7224848 0.69 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA3
SCHEMBL6217979 0.69 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA3
SCHEMBL6219147 0.69 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3
SCHEMBL7226778 0.67 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5772206 0.67 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3
SCHEMBL6217150 0.66 SMN1; SMN2 (0.33) GABRA1GABRG2GABRB3GABRA3

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 1 patent. 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 disclosed