SCHEMBL29646359

SCHEMBL29646359

Cn1cc(-c2nc3c4cccc(S(C)(=O)=O)c4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
ADORA3 P0DMS8 5/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
PARP1 P09874 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
USP30 Q70CQ3 1/20 0.33
IRAK1 P51617 1/20 0.32
PIK3CD O00329 1/20 0.32
GPR39 O43194 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TRPC3 Q13507 2/20 0.32
TRPC7 Q9HCX4 2/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL22987766 1.00 JAK2 (0.33) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22987832 0.94 PIK3CD (0.33) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22988078 0.93 IRAK1 (0.33) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL30394157 0.93 IRAK1 (0.33) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22988075 0.93 JAK2 (0.32) JAK2JAK1PARP1TYK2JAK3
SCHEMBL22987599 0.91 TNKS (0.35) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22988240 0.91 ADORA3 (0.35) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22987521 0.91 ADORA3 (0.35) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL22988171 0.91 ADORA3 (0.35) JAK2JAK1ADORA3ADORA1ADORA2A
SCHEMBL28730362 0.91 ADORA3 (0.35) JAK2JAK1ADORA3ADORA1ADORA2A

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 disclosed
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 disclosed