SCHEMBL29645541

SCHEMBL29645541

Cn1cc(-c2nc3c4cccc(F)c4nc(N[C@@H]4CNCCNC4=O)n3n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.34
ADORA3 P0DMS8 9/20 0.34
ADORA1 P30542 8/20 0.34
ADORA2A P29274 7/20 0.34
ADORA2B P29275 5/20 0.34
IRAK1 P51617 3/20 0.33
CHEK1 O14757 4/20 0.33
RPLP1 P05386 1/20 0.33
RPLP0 P05388 1/20 0.33
RPS17 P08708 1/20 0.33
RPSA P08865 1/20 0.33
RPS2 P15880 1/20 0.33
RPL35A P18077 1/20 0.33
RPL7 P18124 1/20 0.33
RPL17 P18621 1/20 0.33
RPS4Y1 P22090 1/20 0.33
RPS3 P23396 1/20 0.33
RPS12 P25398 1/20 0.33
RPL13 P26373 1/20 0.33
RPL10 P27635 1/20 0.33

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
SCHEMBL22978977 1.00 IRAK4 (0.34) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29645907 0.91 JAK2 (0.34)
SCHEMBL22979336 0.91 JAK2 (0.34)
SCHEMBL22988253 0.91 ADORA3 (0.35) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22988486 0.91 PIM1 (0.34) ADORA2BCDK2
SCHEMBL22988396 0.91 CCNK (0.38) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29645793 0.91 CCNK (0.38) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22987861 0.90 ADORA3 (0.34) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22987891 0.90 RPLP1 (0.34) IRAK4ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22988299 0.90 ADORA3 (0.34) IRAK4ADORA3ADORA1ADORA2AADORA2B

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
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