SCHEMBL28049908

SCHEMBL28049908

N#Cc1c[nH]c2nccc(-c3cccc(CN)c3)c12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.79
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48

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
SCHEMBL16178131 0.88 LRRK2 (1.00) LRRK2
SCHEMBL28049873 0.82 LRRK2 (0.72) LRRK2IKBKBCHUK
SCHEMBL3567725 0.81 LRRK2 (1.00) LRRK2IKBKBCHUK
SCHEMBL16178118 0.81 LRRK2 (1.00) LRRK2
SCHEMBL16517761 0.81 LRRK2 (0.73) LRRK2
SCHEMBL16178091 0.81 LRRK2 (1.00) LRRK2
SCHEMBL16178033 0.79 LRRK2 (1.00) LRRK2
SCHEMBL28049907 0.76 LRRK2 (0.77) LRRK2
SCHEMBL28049906 0.75 LRRK2 (0.79) LRRK2
SCHEMBL3560182 0.73 LRRK2 (0.69) 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-105263930-A Arylpyrrolopyridine derived compounds as lrrk2 inhibitors LUNDBECK & CO AS H 2016-01-20 CN claimed
CN-105263930-A Arylpyrrolopyridine derived compounds as lrrk2 inhibitors LUNDBECK & CO AS H 2016-01-20 CN disclosed