SCHEMBL883312

SCHEMBL883312

COc1nccc2c1c(-c1cc(C(=O)OC(C)C)n(C(C)C)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.45
MAPK1 P28482 1/20 0.36
ELANE P08246 2/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL876187 0.93 LRRK2 (0.46) LRRK2MAPK1ALDH1A1SMN1; SMN2SIRT2
SCHEMBL875083 0.91 LRRK2 (0.47) LRRK2MAPK1ALDH1A1SIRT2
SCHEMBL875073 0.89 LRRK2 (0.47) LRRK2MAPK1SIRT2
SCHEMBL10225769 0.88 LRRK2 (0.46) LRRK2MAPK1ALDH1A1SMN1; SMN2SIRT2
SCHEMBL878421 0.85 LRRK2 (0.48) LRRK2MAPK1ALDH1A1
SCHEMBL13966397 0.84 LRRK2 (0.50) LRRK2ELANEJMJD6TP53SMN1; SMN2
SCHEMBL10225768 0.83 LRRK2 (0.47) LRRK2MAPK1SIRT2
SCHEMBL874913 0.81 LRRK2 (0.54) LRRK2
SCHEMBL10224625 0.78 LRRK2 (0.54) LRRK2
SCHEMBL10225766 0.77 LRRK2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed