SCHEMBL16024804

SCHEMBL16024804

CN1CCN(c2cc(-c3n[nH]c4cc(F)c(-c5cn[nH]c5)cc34)ncn2)CC1=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.79

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
SCHEMBL17427435 0.88 LRRK2 (1.00) LRRK2
SCHEMBL16024969 0.82 LRRK2 (0.58) LRRK2
SCHEMBL16022949 0.81 LRRK2 (1.00) LRRK2
SCHEMBL16022296 0.81 LRRK2 (0.78) LRRK2
SCHEMBL16022665 0.77 LRRK2 (1.00) LRRK2
SCHEMBL16022800 0.76 LRRK2 (1.00) LRRK2
SCHEMBL16022150 0.76 LRRK2 (1.00) LRRK2
SCHEMBL16525307 0.76 LRRK2 (0.75) LRRK2
SCHEMBL17432504 0.76 LRRK2 (1.00) LRRK2
SCHEMBL16024803 0.75 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
WO-2014137719-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 — — WO disclosed
Send feedback