SCHEMBL5229524

SCHEMBL5229524

Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 20/20 1.00
GABRA1 P14867 1/20 0.77

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
SCHEMBL5231914 0.93 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5229372 0.92 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5229112 0.91 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5228838 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5233811 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5228968 0.90 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5229327 0.90 GABRG2 (0.81) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2655514 0.90 GABRG2 (0.81) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2652148 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5230675 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP claimed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US claimed
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed