SCHEMBL21939243

SCHEMBL21939243

CNc1nc(Nc2ccc(C(=O)N3CCN(C4CCCC(C5CCCC5)CC4)CC3)cc2OC)ncc1Cl

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.80
▸ MAP3K9 P80192 1/20 0.69
▸ MKNK2 Q9HBH9 1/20 0.69

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
SCHEMBL7454196 0.89 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL7456067 0.89 LRRK2 (0.77) LRRK2MAP3K9MKNK2
SCHEMBL7452273 0.88 LRRK2 (0.83) LRRK2MAP3K9MKNK2
SCHEMBL7453397 0.86 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL14556221 0.86 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL7458201 0.86 LRRK2 (1.00) LRRK2
SCHEMBL12065483 0.85 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL14556282 0.85 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL7449911 0.84 LRRK2 (1.00) LRRK2MAP3K9MKNK2
SCHEMBL14556271 0.84 LRRK2 (0.86) LRRK2MAP3K9MKNK2

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-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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