SCHEMBL19290565

SCHEMBL19290565

CN1CCN(c2cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn2)C[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.75

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
SCHEMBL16023320 0.89 LRRK2 (0.81) LRRK2
SCHEMBL16023349 0.86 LRRK2 (1.00) LRRK2
SCHEMBL16023102 0.85 LRRK2 (1.00) LRRK2
SCHEMBL17427524 0.85 LRRK2 (1.00) LRRK2
SCHEMBL16023342 0.85 LRRK2 (1.00) LRRK2
SCHEMBL16023318 0.84 LRRK2 (1.00) LRRK2
SCHEMBL16023344 0.84 LRRK2 (1.00) LRRK2
SCHEMBL16023063 0.84 LRRK2 (1.00) LRRK2
SCHEMBL16023314 0.84 LRRK2 (1.00) LRRK2
SCHEMBL16024872 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964222-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-08-30 — — EP disclosed
Send feedback