SCHEMBL29648773

SCHEMBL29648773

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.34
ADORA1 P30542 11/20 0.34
ADORA3 P0DMS8 10/20 0.33
ADORA2B P29275 8/20 0.33
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TNF P01375 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
LITAF Q99732 1/20 0.31
HSP90AB1 P08238 1/20 0.31
RAB9A P51151 1/20 0.31
ZAP70 P43403 1/20 0.30
SYK P43405 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
SCHEMBL22979849 1.00 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988475 0.92 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22978983 0.91 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22979348 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29648786 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22980877 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988432 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL29648628 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA3ADORA2BMKNK1
SCHEMBL22988214 0.90 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29648715 0.90 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 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