SCHEMBL27975100

SCHEMBL27975100

CCNc1c(C#N)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 0.50
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 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 0.89 LRRK2 (0.53) LRRK2
SCHEMBL27975446 0.86 LRRK2 (0.67) LRRK2
SCHEMBL28830370 0.86 LRRK2 (0.47) LRRK2
SCHEMBL28813534 0.85 LRRK2 (0.70) LRRK2
SCHEMBL27975112 0.83 LRRK2 (0.47) LRRK2
SCHEMBL28075851 0.81 LRRK2 (0.42) LRRK2
SCHEMBL27975393 0.81 LRRK2 (0.46) LRRK2
SCHEMBL14059861 0.81 LRRK2 (0.74) LRRK2
SCHEMBL28830335 0.81 LRRK2 (0.70) LRRK2
SCHEMBL27975550 0.81 LRRK2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
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