SCHEMBL17656069

SCHEMBL17656069

COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(N)n1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.81
▸ JAK2 O60674 1/20 0.79
▸ MAP3K9 P80192 1/20 0.68
▸ MKNK2 Q9HBH9 1/20 0.68

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
SCHEMBL7450050 0.90 LRRK2 (1.00) LRRK2JAK2
SCHEMBL7450262 0.88 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7451347 0.86 LRRK2 (0.86) LRRK2JAK2
SCHEMBL7454399 0.86 LRRK2 (0.86) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7449811 0.85 LRRK2 (1.00) LRRK2JAK2
SCHEMBL9280006 0.84 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL14556225 0.83 LRRK2 (0.94) LRRK2JAK2
SCHEMBL14641949 0.83 LRRK2 (0.82) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7459229 0.83 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL12066134 0.83 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2

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-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP disclosed
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