SCHEMBL29645871

SCHEMBL29645871

Cn1cc(-c2nc3c4cccc(Cl)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.37
ADORA1 P30542 8/20 0.37
ADORA3 P0DMS8 7/20 0.37
ADORA2B P29275 6/20 0.37
SCN9A Q15858 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
SELP P16109 1/20 0.33
TYRO3 Q06418 1/20 0.33
RPLP1 P05386 1/20 0.33
RPLP0 P05388 1/20 0.33
RPS17 P08708 1/20 0.33
RPSA P08865 1/20 0.33
RPS2 P15880 1/20 0.33
RPL35A P18077 1/20 0.33
RPL7 P18124 1/20 0.33
RPL17 P18621 1/20 0.33
RPS4Y1 P22090 1/20 0.33
RPS3 P23396 1/20 0.33
RPS12 P25398 1/20 0.33

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
SCHEMBL22980138 1.00 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979811 0.91 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29646141 0.91 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22978988 0.91 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979137 0.91 PIM1 (0.35) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29645678 0.91 PIM1 (0.35) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979183 0.91 PAK1 (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29646142 0.91 PAK1 (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22980928 0.90 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979210 0.90 ADORA1 (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 6 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
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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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