SCHEMBL14059700

SCHEMBL14059700

CS(=O)(=O)c1ccccc1-c1ccc2c(NCCC3CC3)c(C#N)nnc2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.49
▸ ALOX5AP P20292 5/20 0.35
▸ FEN1 P39748 4/20 0.35
▸ F10 P00742 1/20 0.34

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 0.85 LRRK2 (0.66) LRRK2
SCHEMBL14059133 0.84 LRRK2 (0.55) LRRK2
SCHEMBL14059477 0.84 LRRK2 (0.46) LRRK2
SCHEMBL14059532 0.84 LRRK2 (0.44) LRRK2
SCHEMBL14059382 0.83 LRRK2 (0.68) LRRK2
SCHEMBL14059769 0.82 LRRK2 (0.46) LRRK2
SCHEMBL14059154 0.82 LRRK2 (0.49) LRRK2
SCHEMBL14059347 0.82 LRRK2 (0.52) LRRK2
SCHEMBL14059793 0.81 LRRK2 (0.48) LRRK2ALOX5APFEN1
SCHEMBL17135928 0.81 LRRK2 (0.73) 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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