SCHEMBL22890785

SCHEMBL22890785

Cc1cc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C)cc23)cnn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00

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
SCHEMBL29644085 1.00 LRRK2 (1.00) LRRK2
SCHEMBL22890335 0.89 LRRK2 (1.00) LRRK2
SCHEMBL22890628 0.89 LRRK2 (0.85) LRRK2
SCHEMBL29643998 0.89 LRRK2 (0.85) LRRK2
SCHEMBL22890489 0.88 LRRK2 (1.00) LRRK2
SCHEMBL29644069 0.88 LRRK2 (1.00) LRRK2
SCHEMBL29644061 0.87 LRRK2 (1.00) LRRK2
SCHEMBL22890076 0.87 LRRK2 (1.00) LRRK2
SCHEMBL22890355 0.87 LRRK2 (1.00) LRRK2
SCHEMBL22890067 0.87 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