SCHEMBL22890296

SCHEMBL22890296

Cc1c(C#N)cnc(C(=O)Nc2ccc3[nH]nc(Br)c3c2)c1C

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.75

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
SCHEMBL29643917 1.00 LRRK2 (0.75) LRRK2
SCHEMBL22890683 0.90 LRRK2 (0.78) LRRK2
SCHEMBL29644049 0.88 LRRK2 (0.75) LRRK2
SCHEMBL29643826 0.88 LRRK2 (0.75) LRRK2
SCHEMBL22889924 0.88 LRRK2 (0.75) LRRK2
SCHEMBL22890721 0.88 LRRK2 (0.75) LRRK2
SCHEMBL22890414 0.88 LRRK2 (0.75) LRRK2
SCHEMBL29644095 0.86 LRRK2 (1.00) LRRK2
SCHEMBL22890689 0.86 LRRK2 (1.00) LRRK2
SCHEMBL22890699 0.86 LRRK2 (0.74) 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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