SCHEMBL22890628

SCHEMBL22890628

Cc1cc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C)cc23)ccn1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.85

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
SCHEMBL29643998 1.00 LRRK2 (0.85) LRRK2
SCHEMBL22889969 0.92 LRRK2 (1.00) LRRK2
SCHEMBL29644026 0.92 LRRK2 (1.00) LRRK2
SCHEMBL29644088 0.91 LRRK2 (0.82) LRRK2
SCHEMBL22890063 0.91 LRRK2 (1.00) LRRK2
SCHEMBL22890060 0.90 LRRK2 (1.00) LRRK2
SCHEMBL29643894 0.90 LRRK2 (1.00) LRRK2
SCHEMBL22890032 0.89 LRRK2 (1.00) LRRK2
SCHEMBL29644038 0.89 LRRK2 (1.00) LRRK2
SCHEMBL22890785 0.89 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