SCHEMBL28035537

SCHEMBL28035537

CC(C)n1cc(-c2cc(-c3ccc(CC(C(=O)C(Cc4ccc(-c5cnc(N)c(-c6cn(C(C)C)nn6)c5)cc4)N4CCOCC4)N4CCOCC4)cc3)cnc2N)nn1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.73

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
SCHEMBL17271364 0.84 LRRK2 (1.00) LRRK2
SCHEMBL15870206 0.83 LRRK2 (1.00) LRRK2
SCHEMBL15865096 0.83 LRRK2 (1.00) LRRK2
SCHEMBL15865136 0.81 LRRK2 (1.00) LRRK2
SCHEMBL15865391 0.81 LRRK2 (1.00) LRRK2
SCHEMBL15864659 0.79 LRRK2 (1.00) LRRK2
SCHEMBL15865278 0.77 LRRK2 (0.89) LRRK2
SCHEMBL15864930 0.76 LRRK2 (1.00) LRRK2
SCHEMBL15865025 0.76 LRRK2 (1.00) LRRK2
SCHEMBL15870145 0.76 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
CN-104903311-A Aminopyridine derived compounds as LRRK2 inhibitors LUNDBECK & CO AS H 2015-09-09 CN claimed
CN-104903311-A Aminopyridine derived compounds as LRRK2 inhibitors LUNDBECK & CO AS H 2015-09-09 CN disclosed