SCHEMBL878252

SCHEMBL878252

COc1nccc2[nH]nc(-c3ccnc(N4CCCCC4(C)C)c3)c12

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.72

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
SCHEMBL874827 0.84 LRRK2 (1.00) LRRK2
SCHEMBL883529 0.79 LRRK2 (1.00) LRRK2
SCHEMBL883649 0.74 LRRK2 (0.79) LRRK2
SCHEMBL10225334 0.73 LRRK2 (1.00) LRRK2
SCHEMBL883532 0.73 LRRK2 (1.00) LRRK2
SCHEMBL875298 0.73 LRRK2 (1.00) LRRK2
SCHEMBL10224684 0.73 LRRK2 (1.00) LRRK2
SCHEMBL883509 0.73 LRRK2 (1.00) LRRK2
SCHEMBL875349 0.72 LRRK2 (0.74) LRRK2
SCHEMBL10224627 0.71 LRRK2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed