SCHEMBL22890699

SCHEMBL22890699

Cc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(Br)c2c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.74

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
SCHEMBL29771518 1.00 LRRK2 (0.74) LRRK2
SCHEMBL22890552 0.88 LRRK2 (0.74) LRRK2
SCHEMBL29643953 0.88 LRRK2 (0.74) LRRK2
SCHEMBL29644088 0.86 LRRK2 (0.82) LRRK2
SCHEMBL22890296 0.86 LRRK2 (0.75) LRRK2
SCHEMBL29643917 0.86 LRRK2 (0.75) LRRK2
SCHEMBL22890355 0.85 LRRK2 (1.00) LRRK2
SCHEMBL22890063 0.85 LRRK2 (1.00) LRRK2
SCHEMBL22890067 0.85 LRRK2 (1.00) LRRK2
SCHEMBL22890060 0.84 LRRK2 (1.00) LRRK2

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-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 — — WO disclosed
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