SCHEMBL14059118

SCHEMBL14059118

COc1ccc(C(=O)N(C)C)cc1-c1ccc2c(NCCC3CC3)c(C(N)=O)nnc2c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.71

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
SCHEMBL14059530 0.94 LRRK2 (0.70) LRRK2
SCHEMBL14059515 0.87 LRRK2 (0.58) LRRK2
SCHEMBL14059157 0.87 LRRK2 (0.69) LRRK2
SCHEMBL14059393 0.86 LRRK2 (0.67) LRRK2
SCHEMBL14062308 0.86 LRRK2 (0.55) LRRK2
SCHEMBL14059977 0.85 LRRK2 (0.54) LRRK2
SCHEMBL14059961 0.85 LRRK2 (0.70) LRRK2
SCHEMBL14059888 0.85 LRRK2 (0.70) LRRK2
SCHEMBL14062362 0.83 LRRK2 (1.00) LRRK2
SCHEMBL14062359 0.83 LRRK2 (1.00) LRRK2

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-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO disclosed
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