SCHEMBL28610253

SCHEMBL28610253

O=C(O)N1CC=C(c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.58
MAP4K1 Q92918 1/20 0.41
KMO O15229 1/20 0.40

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
SCHEMBL21796758 0.86 LRRK2 (0.51) LRRK2MAP4K1
SCHEMBL28619667 0.84 LRRK2 (0.46) LRRK2KMO
SCHEMBL17573299 0.75 LRRK2 (0.70) LRRK2
SCHEMBL17573300 0.74 LRRK2 (1.00) LRRK2
SCHEMBL21796777 0.73 LRRK2 (0.41) LRRK2
SCHEMBL17573378 0.73 LRRK2 (1.00) LRRK2MAP4K1
SCHEMBL17573292 0.73 LRRK2 (1.00) LRRK2MAP4K1
SCHEMBL17573293 0.72 LRRK2 (1.00) LRRK2MAP4K1
SCHEMBL22324916 0.72 HPGD (0.45) KMO
SCHEMBL21796915 0.72 LRRK2 (0.55) LRRK2KMO

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
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed