SCHEMBL20752245

SCHEMBL20752245

CNc1nc(Nc2ccc(F)c(-n3nnnc3C)c2)ncc1OC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.61
PRKCQ Q04759 9/20 0.47
STK17A Q9UEE5 1/20 0.40
SYK P43405 2/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL20752211 0.91 LRRK2 (0.55) LRRK2PRKCQSTK17A
SCHEMBL20752142 0.89 LRRK2 (0.53) LRRK2PRKCQSYKAURKA
SCHEMBL20752230 0.88 LRRK2 (0.52) LRRK2PRKCQSTK17ASYKAURKA
SCHEMBL20752295 0.86 LRRK2 (0.51) LRRK2PRKCQSTK17ASYK
SCHEMBL20752196 0.84 LRRK2 (0.49) LRRK2PRKCQSTK17ASYKAURKA
SCHEMBL20752159 0.84 LRRK2 (0.68) LRRK2STK17A
SCHEMBL20752218 0.84 LRRK2 (0.56) LRRK2PRKCQ
SCHEMBL20752189 0.83 LRRK2 (0.49) LRRK2PRKCQSYKAURKA
SCHEMBL20752239 0.82 LRRK2 (0.55) LRRK2STK17A
SCHEMBL20752081 0.82 PRKCQ (0.59) LRRK2PRKCQSYK

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
EP-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed