SCHEMBL14059347

SCHEMBL14059347

COc1ccc(S(C)(=O)=O)cc1-c1ccc2c(NCCC3CC3)c(C#N)nnc2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 18/20 0.52
▸ BRD4 O60885 2/20 0.38
▸ PDGFRA P16234 2/20 0.36
▸ CSF1R P07333 1/20 0.35

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
SCHEMBL14059307 0.87 LRRK2 (0.66) LRRK2PDGFRACSF1R
SCHEMBL14059572 0.86 LRRK2 (0.49) LRRK2
SCHEMBL14059477 0.86 LRRK2 (0.46) LRRK2
SCHEMBL14059133 0.84 LRRK2 (0.55) LRRK2PDGFRACSF1R
SCHEMBL14059961 0.84 LRRK2 (0.70) LRRK2PDGFRACSF1R
SCHEMBL14062308 0.83 LRRK2 (0.55) LRRK2
SCHEMBL17135860 0.82 LRRK2 (0.76) LRRK2PDGFRACSF1R
SCHEMBL17135861 0.82 LRRK2 (0.76) LRRK2PDGFRACSF1R
SCHEMBL14059413 0.82 LRRK2 (0.46) LRRK2
SCHEMBL14059700 0.82 LRRK2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO claimed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO disclosed
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