SCHEMBL22889733

SCHEMBL22889733

Cc1nc(C#N)ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1

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
SCHEMBL22890149 0.87 LRRK2 (0.77) LRRK2
SCHEMBL29771496 0.87 LRRK2 (0.77) LRRK2
SCHEMBL22889805 0.86 LRRK2 (0.76) LRRK2
SCHEMBL22889753 0.85 LRRK2 (1.00) LRRK2
SCHEMBL22889741 0.84 LRRK2 (0.81) LRRK2
SCHEMBL22890606 0.84 LRRK2 (0.73) LRRK2
SCHEMBL22889831 0.84 LRRK2 (0.72) LRRK2
SCHEMBL29644056 0.84 LRRK2 (0.72) LRRK2
SCHEMBL22889799 0.83 LRRK2 (0.71) LRRK2
SCHEMBL22890448 0.82 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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