SCHEMBL20752181

SCHEMBL20752181

CNc1nc(Nc2cc(OC)cc(-n3nnnc3C)c2)ncc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.62
PRKCQ Q04759 8/20 0.57
ULK1 O75385 1/20 0.48
MAPK3 P27361 1/20 0.47

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
SCHEMBL20752168 0.87 PRKCQ (0.59) LRRK2PRKCQ
SCHEMBL20752081 0.86 PRKCQ (0.59) LRRK2PRKCQ
SCHEMBL20752134 0.85 PRKCQ (0.58) LRRK2PRKCQ
SCHEMBL20752186 0.84 PRKCQ (0.56) LRRK2PRKCQ
SCHEMBL3495110 0.83 PRKCQ (0.81) LRRK2PRKCQULK1MAPK3
SCHEMBL20752144 0.83 PRKCQ (0.55) LRRK2PRKCQ
SCHEMBL20752169 0.82 ULK1 (0.63) LRRK2ULK1MAPK3
SCHEMBL20752302 0.82 LRRK2 (0.71) LRRK2ULK1
SCHEMBL20752159 0.81 LRRK2 (0.68) LRRK2ULK1
SCHEMBL15769404 0.80 PRKCQ (0.62) LRRK2PRKCQULK1

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