SCHEMBL27975370

SCHEMBL27975370

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.65
▸ PDGFRA P16234 2/20 0.51
▸ CSF1R P07333 1/20 0.51

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
SCHEMBL27975422 0.89 LRRK2 (0.69) LRRK2PDGFRACSF1R
SCHEMBL27975105 0.88 LRRK2 (0.71) LRRK2PDGFRACSF1R
SCHEMBL28814189 0.85 LRRK2 (0.71) LRRK2PDGFRACSF1R
SCHEMBL27975222 0.85 LRRK2 (0.67) LRRK2PDGFRACSF1R
SCHEMBL27975160 0.83 LRRK2 (0.62) LRRK2PDGFRACSF1R
SCHEMBL27975358 0.83 LRRK2 (0.68) LRRK2PDGFRACSF1R
SCHEMBL28813306 0.83 LRRK2 (0.74) LRRK2PDGFRACSF1R
SCHEMBL27975223 0.81 LRRK2 (0.69) LRRK2PDGFRACSF1R
SCHEMBL27975274 0.79 LRRK2 (0.72) LRRK2PDGFRACSF1R
SCHEMBL14059948 0.79 LRRK2 (1.00) LRRK2PDGFRACSF1R

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-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
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