SCHEMBL19086088

SCHEMBL19086088

CC(C)n1cc(-c2cc(-c3cc(Cl)cc(C4CN(C=O)CCO4)c3)cnc2N)nn1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.58

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
SCHEMBL19086089 0.89 LRRK2 (0.60) LRRK2
SCHEMBL19086096 0.89 LRRK2 (0.57) LRRK2
SCHEMBL19086084 0.86 LRRK2 (0.58) LRRK2
SCHEMBL19086080 0.83 LRRK2 (0.57) LRRK2
SCHEMBL19086085 0.83 LRRK2 (0.59) LRRK2
SCHEMBL15864770 0.75 LRRK2 (0.65) LRRK2
SCHEMBL15864509 0.73 LRRK2 (1.00) LRRK2
SCHEMBL15865334 0.73 LRRK2 (1.00) LRRK2
SCHEMBL15865391 0.68 LRRK2 (1.00) LRRK2
SCHEMBL17004641 0.67 KCNH2 (0.51)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941425-B1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H LUNDBECK AS (DK) 2017-07-12 EP claimed