SCHEMBL29646344

SCHEMBL29646344

FC(F)(F)c1ccc(-c2nc3c4ccccc4nc(Cl)n3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.64
ADORA1 P30542 3/20 0.53
ADORA2A P29274 3/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22979717 1.00 ADORA3 (0.64) ADORA3ADORA1ADORA2AMAPTTP53
SCHEMBL22980157 0.89 ADORA3 (0.51) ADORA3ADORA1MAPTTP53MEN1
SCHEMBL29646327 0.89 ADORA3 (0.51) ADORA3ADORA1MAPTTP53MEN1
SCHEMBL22987432 0.86 ADORA3 (0.50) ADORA3ADORA1MAPTTP53ABCG2
SCHEMBL29646371 0.86 ADORA3 (0.50) ADORA3ADORA1MAPTTP53ABCG2
SCHEMBL29646414 0.86 ADORA3 (0.69) ADORA3ADORA1MAPTTP53MEN1
SCHEMBL22979023 0.86 ADORA3 (0.69) ADORA3ADORA1MAPTTP53MEN1
SCHEMBL22979754 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AMAPTTP53
SCHEMBL29646319 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AMAPTTP53
SCHEMBL22979578 0.85 ADORA3 (0.64) ADORA3ADORA1ADORA2AMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
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 disclosed