SCHEMBL7003425

SCHEMBL7003425

CN1CN(COc2cc(C(C)(C)C)c3nnc(-c4ccon4)n3n2)C=N1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 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
SCHEMBL2655667 0.81 GABRA1 (0.41) LRRK2
SCHEMBL7005941 0.77 GABRA1 (0.49) LRRK2
SCHEMBL7004128 0.76 GABRA1 (0.39) LRRK2
SCHEMBL7001260 0.76 GABRG2 (0.46)
SCHEMBL7006675 0.71 LRRK2 (0.35) LRRK2
SCHEMBL6998762 0.63 GABRA1 (0.47)
SCHEMBL7005499 0.63 GABRA1 (0.43)
SCHEMBL7003973 0.62 GABRA1 (0.52)
SCHEMBL6999458 0.62 GABRA1 (0.66)
SCHEMBL7006134 0.62 GABRA1 (0.62)

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