SCHEMBL28076015

SCHEMBL28076015

COc1ccccc1-c1ccc2c(N[C@H](C)C3CC3)c(NC=O)nnc2c1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.68

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
SCHEMBL28075920 0.89 LRRK2 (0.66) LRRK2
SCHEMBL28075853 0.89 LRRK2 (0.70) LRRK2
SCHEMBL28076056 0.89 LRRK2 (0.70) LRRK2
SCHEMBL28075969 0.88 LRRK2 (0.66) LRRK2
SCHEMBL28075919 0.88 LRRK2 (0.68) LRRK2
SCHEMBL28075911 0.86 LRRK2 (0.65) LRRK2
SCHEMBL28076016 0.84 LRRK2 (0.54) LRRK2
SCHEMBL14059391 0.83 LRRK2 (0.68) LRRK2
SCHEMBL14059390 0.83 LRRK2 (0.68) LRRK2
SCHEMBL28076036 0.81 LRRK2 (0.66) 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-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN claimed
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
Send feedback