SCHEMBL22889992

SCHEMBL22889992

Cc1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3C(C)C)cc12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 17/20 0.74
▸ JAK2 O60674 3/20 0.47
▸ JAK1 P23458 3/20 0.47

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
SCHEMBL29771514 0.84 LRRK2 (0.66) LRRK2
SCHEMBL22890267 0.84 LRRK2 (0.66) LRRK2
SCHEMBL29740981 0.80 LRRK2 (0.62) LRRK2JAK2JAK1
SCHEMBL22889932 0.77 LRRK2 (0.70) LRRK2
SCHEMBL22890683 0.75 LRRK2 (0.78) LRRK2
SCHEMBL22890307 0.74 LRRK2 (0.71) LRRK2
SCHEMBL22445859 0.74 LRRK2 (0.50) LRRK2
SCHEMBL29644068 0.74 LRRK2 (0.75) LRRK2
SCHEMBL22890732 0.74 LRRK2 (0.75) LRRK2
SCHEMBL22890867 0.73 LRRK2 (0.58) 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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