SCHEMBL29648715

SCHEMBL29648715

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.38
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL22988214 1.00 ADORA2A (0.38) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22988475 0.91 ADORA2A (0.35) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22979849 0.90 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1
SCHEMBL29648773 0.90 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22978983 0.90 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22979348 0.89 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1
SCHEMBL29648628 0.88 ADORA2A (0.33) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22988432 0.88 ADORA2A (0.33) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22979312 0.88 ADORA2A (0.33) ADORA2AADORA3ADORA2BADORA1
SCHEMBL22988368 0.88 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1

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