SCHEMBL20752189

SCHEMBL20752189

CNc1nc(Nc2ccc(F)c(-n3nnnc3C)c2)ncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.49
PRKCQ Q04759 6/20 0.42
SYK P43405 3/20 0.42
AURKA O14965 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL20752142 0.88 LRRK2 (0.53) LRRK2PRKCQSYKAURKA
SCHEMBL20752230 0.87 LRRK2 (0.52) LRRK2PRKCQSYKAURKA
SCHEMBL20752241 0.87 LRRK2 (0.50) LRRK2
SCHEMBL20752188 0.86 LRRK2 (0.41) LRRK2PRKCQSYKAURKA
SCHEMBL20752295 0.85 LRRK2 (0.51) LRRK2PRKCQSYK
SCHEMBL20752250 0.85 LRRK2 (0.47) LRRK2PRKCQ
SCHEMBL20752196 0.83 LRRK2 (0.49) LRRK2PRKCQSYKAURKA
SCHEMBL20752159 0.83 LRRK2 (0.68) LRRK2CYP1A2
SCHEMBL20752245 0.83 LRRK2 (0.61) LRRK2PRKCQSYKAURKA
SCHEMBL1740757 0.83 PRKCQ (0.50) LRRK2PRKCQSYKAURKA

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