SCHEMBL6998714

SCHEMBL6998714

Cn1ncnc1COc1cc(C(C)(C)C)c2nnc(-c3cc(Cl)on3)n2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.48
GABRB3 P28472 20/20 0.48
GABRA3 P34903 20/20 0.48
GABRA1 P14867 17/20 0.48
GABRA2 P47869 14/20 0.48
GABRA5 P31644 12/20 0.48
GABRA4 P48169 2/20 0.48
GABRA6 Q16445 1/20 0.32

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
SCHEMBL6997905 0.91 GABRA1 (0.58) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7001260 0.85 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6997828 0.85 GABRA1 (0.41) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7003973 0.83 GABRA1 (0.52) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6996445 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7003676 0.81 GABRA1 (0.51) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6998720 0.81 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7003228 0.79 GABRA1 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7005499 0.72 GABRA1 (0.43) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6997836 0.72 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA2

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-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP claimed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed