SCHEMBL29648734

SCHEMBL29648734

COCc1cccc2c1nc(N[C@@H]1CCCCNC1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ADORA2A P29274 7/20 0.34
ADORA1 P30542 7/20 0.34
ADORA3 P0DMS8 7/20 0.34
ADORA2B P29275 5/20 0.34
SCN9A Q15858 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TP53 P04637 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.32
ALPL P05186 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL22979914 1.00 KDM4E (0.35) KDM4EADORA2AADORA1ADORA3ADORA2B
SCHEMBL22978988 0.89 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29646141 0.89 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22988156 0.89 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979241 0.88 KDM4E (0.42) KDM4EADORA2AADORA1ADORA3SCN9A
SCHEMBL22980138 0.87 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979168 0.87 ADORA2A (0.37) KDM4EADORA2AADORA1ADORA3ADORA2B
SCHEMBL22979037 0.87 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22980928 0.87 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979210 0.87 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 4 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-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