SCHEMBL22889741

SCHEMBL22889741

Cc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.81

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
SCHEMBL22890092 0.90 LRRK2 (1.00) LRRK2
SCHEMBL22890493 0.89 LRRK2 (0.81) LRRK2
SCHEMBL22890496 0.89 LRRK2 (0.81) LRRK2
SCHEMBL22889718 0.89 LRRK2 (0.78) LRRK2
SCHEMBL22890499 0.88 LRRK2 (1.00) LRRK2
SCHEMBL29771497 0.88 LRRK2 (1.00) LRRK2
SCHEMBL22890160 0.88 LRRK2 (1.00) LRRK2
SCHEMBL22890585 0.88 LRRK2 (1.00) LRRK2
SCHEMBL22890718 0.87 LRRK2 (0.81) LRRK2
SCHEMBL29771501 0.87 LRRK2 (0.81) 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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