SCHEMBL29648786

SCHEMBL29648786

Cc1nn(C)cc1-c1nc2c3cccc(Cl)c3nc(N[C@@H]3CCCCNC3=O)n2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.38
ADORA1 P30542 9/20 0.38
ADORA3 P0DMS8 9/20 0.38
ADORA2B P29275 7/20 0.38
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
BRD4 O60885 4/20 0.33
CREBBP Q92793 4/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RAB9A P51151 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 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
SCHEMBL22980877 1.00 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29645736 0.91 ADORA3 (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22979233 0.91 ADORA3 (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22979849 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29648773 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22979399 0.89 BRD4 (0.39) ADORA2AADORA1ADORA3ADORA2BBRD4
SCHEMBL25119048 0.89 ADORA3 (0.35) ADORA2AADORA1ADORA3ADORA2BBRD4
SCHEMBL22980246 0.87 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22980138 0.86 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29645871 0.86 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BMKNK1

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