SCHEMBL30251981

SCHEMBL30251981

Cc1cc(-c2c(C3CCOCC3)nc(OC3CC(C(=O)N(C)C(C)CO)C3)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 11/20 0.36
TLR8 Q9NR97 11/20 0.36
TLR7 Q9NYK1 11/20 0.36
LRRK2 Q5S007 3/20 0.33
MAPK1 P28482 3/20 0.32
APOL1 O14791 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL23906073 1.00 TLR9 (0.36) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23884432 1.00 TLR9 (0.36) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23905416 0.87 MAPK1 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL25219176 0.87 MAPK1 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL25219174 0.87 MAPK1 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23906173 0.87 LRRK2 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL30251796 0.86 LRRK2 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23884537 0.85 TLR9 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23906041 0.85 TLR9 (0.37) TLR9TLR8TLR7LRRK2MAPK1
SCHEMBL23884535 0.85 TLR9 (0.37) TLR9TLR8TLR7LRRK2MAPK1

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-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 CN disclosed