SCHEMBL29645784

SCHEMBL29645784

CC(C)n1cc(-c2nc3c4cccc(S(C)(=O)=O)c4nc(N[C@@H]4CNCCNC4=O)n3n2)cn1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.32
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
RPS6KB1 P23443 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
FLT3 P36888 2/20 0.30
SYK P43405 2/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL22979234 1.00 AURKB (0.32) AURKBAURKAPDPK1RPS6KB1JAK2
SCHEMBL29645870 0.92 ADORA3 (0.33)
SCHEMBL22979421 0.92 ADORA3 (0.33)
SCHEMBL29648722 0.90 ADORA2A (0.35) JAK2JAK1TYK2JAK3BRD4
SCHEMBL22979704 0.90 ADORA2A (0.35) JAK2JAK1TYK2JAK3BRD4
SCHEMBL22988125 0.89 AURKB (0.33) AURKBAURKAPDPK1RPS6KB1JAK2
SCHEMBL22988234 0.89 AURKB (0.33) AURKBAURKAPDPK1RPS6KB1JAK2
SCHEMBL22979336 0.89 JAK2 (0.34) AURKBAURKAPDPK1RPS6KB1JAK2
SCHEMBL29645907 0.89 JAK2 (0.34) AURKBAURKAPDPK1RPS6KB1JAK2
SCHEMBL22988286 0.89 AURKB (0.33) AURKBAURKAPDPK1RPS6KB1JAK2

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