SCHEMBL28830370

SCHEMBL28830370

CC(C)(C)Nc1c(C#N)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 0.47
▸ EGLN2 Q96KS0 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL28814172 0.88 LRRK2 (0.53) LRRK2
SCHEMBL27975100 0.86 LRRK2 (0.50) LRRK2
SCHEMBL27975446 0.85 LRRK2 (0.67) LRRK2
SCHEMBL28813534 0.82 LRRK2 (0.70) LRRK2
SCHEMBL27975550 0.82 LRRK2 (0.52) LRRK2
SCHEMBL28830436 0.82 LRRK2 (0.42) LRRK2
SCHEMBL27975112 0.82 LRRK2 (0.47) LRRK2
SCHEMBL27975393 0.80 LRRK2 (0.46) LRRK2
SCHEMBL14059654 0.80 LRRK2 (0.72) LRRK2
SCHEMBL28830335 0.80 LRRK2 (0.70) 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
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
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