SCHEMBL29646450

SCHEMBL29646450

FC(F)(F)Oc1ccc(-c2nc3c4ccccc4nc(Cl)n3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.50
ADORA1 P30542 2/20 0.50
ACP1 P24666 1/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
IGF1R P08069 1/20 0.43
TP53 P04637 1/20 0.42
ADORA2A P29274 1/20 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
SCHEMBL22979755 1.00 ADORA3 (0.50) ADORA3ADORA1ACP1MAPTTHRB
SCHEMBL22979767 0.87 ADORA3 (0.47) ADORA3ADORA1ACP1MAPTTHRB
SCHEMBL29646340 0.87 ADORA3 (0.47) ADORA3ADORA1ACP1MAPTTHRB
SCHEMBL22987915 0.86 ADORA3 (0.50) ADORA3ADORA1ACP1MAPTTHRB
SCHEMBL22979306 0.84 ADORA3 (0.65) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22979717 0.84 ADORA3 (0.64) ADORA3ADORA1MAPTTP53ADORA2A
SCHEMBL29646344 0.84 ADORA3 (0.64) ADORA3ADORA1MAPTTP53ADORA2A
SCHEMBL29646439 0.84 ADORA3 (0.65) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22979023 0.83 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBTP53
SCHEMBL29646414 0.83 ADORA3 (0.69) ADORA3ADORA1MAPTTHRBTP53

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