SCHEMBL7003393

SCHEMBL7003393

Cc1nc(-c2nnc3c(C(C)(C)C)cc(OCc4ncn(C)n4)nn23)no1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL7003094 0.84 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7005499 0.83 GABRA1 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6996445 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7004128 0.82 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2657058 0.81 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7006237 0.80 GABRA1 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7481252 0.76 GABRA1 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7000097 0.71 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7006134 0.67 GABRA1 (0.62) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7003676 0.66 GABRA1 (0.51) GABRG2GABRB3GABRA5GABRA1GABRA3

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