SCHEMBL22890871

SCHEMBL22890871

C=Cc1nc(C(=C)CC)c(C)c(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22890491 0.78 LRRK2 (0.43) LRRK2L3MBTL1
SCHEMBL22890872 0.75 LRRK2 (0.44) LRRK2L3MBTL1
SCHEMBL22890766 0.75
SCHEMBL22890315 0.61 ALDH1A1 (0.44) L3MBTL1
SCHEMBL22890865 0.61 ALDH1A1 (0.44) LRRK2
SCHEMBL23652675 0.58 KDM4E (0.34)
SCHEMBL27528601 0.57 KDM4E (0.33)
SCHEMBL23649809 0.56 NOS3 (0.34) L3MBTL1
SCHEMBL2154732 0.55 ALDH1A1 (0.39)
Water SCHEMBL28241249 0.55 ALDH1A1 (0.39)

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