SCHEMBL7701688

SCHEMBL7701688

Cc1cc2c(c(I)nn2C(C2=CCCC=C2)(c2ccccc2)c2ccccc2)c(OC2CCOCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MAPK1 P28482 1/20 0.31

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
SCHEMBL2630825 0.89 LRRK2 (0.39) LRRK2IRAK4MAPK1
SCHEMBL7703998 0.78 FFAR2 (0.34) LRRK2IRAK4MAPK1
SCHEMBL2630843 0.78 PDE4D (0.34) LRRK2IRAK4MAPK1
SCHEMBL2630755 0.77 LRRK2 (0.33) LRRK2MAPK1
SCHEMBL7703675 0.76 SYK (0.37) LRRK2MAPK1
SCHEMBL15300705 0.76 PDE4D (0.37) LRRK2
SCHEMBL878166 0.75 LRRK2 (0.42) LRRK2
SCHEMBL2630721 0.73 LRRK2 (0.41) LRRK2IRAK4MAPK1
SCHEMBL10225781 0.72 LRRK2 (0.56) LRRK2
SCHEMBL883637 0.71 LRRK2 (0.41) 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-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 WO disclosed