SCHEMBL29646141

SCHEMBL29646141

Cc1cccc2c1nc(N[C@@H]1CCCCNC1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.38
ADORA1 P30542 8/20 0.38
ADORA3 P0DMS8 7/20 0.37
ADORA2B P29275 6/20 0.37
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
RAB9A P51151 2/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
PIK3CA P42336 1/20 0.33
IRAK1 P51617 3/20 0.32

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
SCHEMBL22978988 1.00 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BAXL
SCHEMBL29648550 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979168 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29645871 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979210 0.91 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29648566 0.91 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22980138 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22980928 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979037 0.91 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29648570 0.91 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A

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 3 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 claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
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