SCHEMBL29645783

SCHEMBL29645783

Cn1cc(-c2nc3c4cc(Cl)ccc4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.42
ADORA2B P29275 2/20 0.42

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
SCHEMBL29646322 0.90 RXFP1 (0.40) ADORA3
SCHEMBL29645874 0.90 ADORA3 (0.40) ADORA3ADORA2B
SCHEMBL29645782 0.89 MAPT (0.43) ADORA3
SCHEMBL29645922 0.88 ADORA3 (0.42) ADORA3
SCHEMBL29646053 0.87 ADORA3 (0.41) ADORA3ADORA2B
SCHEMBL29645835 0.84 ADORA3 (0.39) ADORA3
SCHEMBL29645698 0.83 ADORA3 (0.54) ADORA3ADORA2B
SCHEMBL29645919 0.83 MAPT (0.41) ADORA3
SCHEMBL29645548 0.83 ADORA3 (0.37) ADORA3
SCHEMBL29645842 0.83 MET (0.33) ADORA3

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-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed