SCHEMBL28049907

SCHEMBL28049907

CN(C)Cc1ccc(-c2ccnc3[nH]cc(C#N)c23)cc1CN

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.77
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
CDC42BPA Q5VT25 2/20 0.48
CDC42BPB Q9Y5S2 2/20 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
SCHEMBL16178269 0.87 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL13860957 0.78 LRRK2 (0.65) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL28049908 0.76 LRRK2 (0.79) LRRK2
SCHEMBL28049906 0.72 LRRK2 (0.79) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL16178118 0.72 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL16178131 0.71 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL16178177 0.71 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPB
SCHEMBL16178091 0.70 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL31240377 0.70 LRRK2 (0.58) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL16178462 0.69 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPB

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