SCHEMBL29645945

SCHEMBL29645945

CCn1cc(-c2nc3c4cccc(C#N)c4nc(N[C@@H]4CCCCNC4=O)n3n2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.33
ADORA1 P30542 6/20 0.33
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ADORA3 P0DMS8 5/20 0.31
ADORA2B P29275 3/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL22979312 1.00 ADORA2A (0.33) ADORA2AADORA1PDE4BPDE7ABRD4
SCHEMBL22988475 0.90 ADORA2A (0.35) ADORA2AADORA1PIM1PIM2ADORA3
SCHEMBL22978983 0.89 ADORA2A (0.34) ADORA2AADORA1PIM1PIM2ADORA3
SCHEMBL22979849 0.89 ADORA2A (0.34) ADORA2AADORA1PDE4BPIM1PIM2
SCHEMBL29648773 0.89 ADORA2A (0.34) ADORA2AADORA1PDE4BPIM1PIM2
SCHEMBL22979348 0.88 ADORA2A (0.34) ADORA2AADORA1PIM1PIM2ADORA3
SCHEMBL22988432 0.88 ADORA2A (0.33) ADORA2AADORA1BRD4CREBBPPIM1
SCHEMBL29648628 0.88 ADORA2A (0.33) ADORA2AADORA1BRD4CREBBPPIM1
SCHEMBL22988214 0.88 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29648715 0.88 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B

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