SCHEMBL28814172

SCHEMBL28814172

CNc1c(C#N)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 0.53
▸ NOS1 P29475 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PDGFRA P16234 1/20 0.33

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
SCHEMBL27975100 0.89 LRRK2 (0.50) LRRK2
SCHEMBL27975446 0.88 LRRK2 (0.67) LRRK2CSF1RPDGFRA
SCHEMBL28830370 0.88 LRRK2 (0.47) LRRK2
SCHEMBL28813534 0.85 LRRK2 (0.70) LRRK2CSF1RPDGFRA
SCHEMBL27975112 0.84 LRRK2 (0.47) LRRK2PDGFRA
SCHEMBL27975393 0.83 LRRK2 (0.46) LRRK2PDGFRA
SCHEMBL27975550 0.82 LRRK2 (0.52) LRRK2
SCHEMBL28830335 0.82 LRRK2 (0.70) LRRK2CSF1RPDGFRA
SCHEMBL19825527 0.82 LRRK2 (0.45) LRRK2PDGFRA
SCHEMBL28076019 0.81 LRRK2 (0.39) LRRK2NOS1CSF1RPDGFRA

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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