SCHEMBL28049873

SCHEMBL28049873

N#Cc1c[nH]c2nc(N)cc(-c3cccc(CN)c3)c12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.72
CHUK O15111 8/20 0.55
IKBKB O14920 4/20 0.55

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
SCHEMBL16177507 0.84 LRRK2 (1.00) LRRK2CHUKIKBKB
SCHEMBL16178112 0.83 LRRK2 (1.00) LRRK2CHUKIKBKB
SCHEMBL28049908 0.82 LRRK2 (0.79) LRRK2CHUKIKBKB
SCHEMBL16177465 0.71 LRRK2 (0.63) LRRK2CHUKIKBKB
SCHEMBL16178131 0.71 LRRK2 (1.00) LRRK2
SCHEMBL16186396 0.70 LRRK2 (0.64) LRRK2CHUKIKBKB
SCHEMBL16368530 0.70 CYP19A1 (0.56)
SCHEMBL3575954 0.69 LRRK2 (0.67) LRRK2CHUKIKBKB
Hydrochloric Acid SCHEMBL16343426 0.69 CYP19A1 (0.54)
SCHEMBL3568836 0.66 LRRK2 (0.67) LRRK2CHUKIKBKB

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