SCHEMBL29646426

SCHEMBL29646426

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.35
ADORA1 P30542 4/20 0.35
ADORA2A P29274 3/20 0.35
USP30 Q70CQ3 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
PIK3CD O00329 1/20 0.33
GPR39 O43194 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
PARP1 P09874 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.32

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
SCHEMBL22987521 1.00 ADORA3 (0.35) ADORA3ADORA1ADORA2AUSP30TRPC3
SCHEMBL22988275 0.93 USP30 (0.34) ADORA3ADORA1ADORA2AUSP30TRPC3
SCHEMBL22987791 0.93 TRPC3 (0.33) ADORA3ADORA1ADORA2AUSP30TRPC3
SCHEMBL22987599 0.93 TNKS (0.35) ADORA3ADORA1ADORA2AUSP30TRPC3
SCHEMBL22987804 0.92 USP30 (0.34) USP30TRPC3TRPC7PIK3CDJAK2
SCHEMBL22988240 0.92 ADORA3 (0.35) ADORA3ADORA1ADORA2AUSP30PIK3CD
SCHEMBL28730362 0.92 ADORA3 (0.35) ADORA3ADORA1ADORA2AUSP30PIK3CD
SCHEMBL22988171 0.92 ADORA3 (0.35) ADORA3ADORA1ADORA2AUSP30TRPC3
SCHEMBL29649011 0.92 ADORA3 (0.35) ADORA3ADORA1ADORA2AUSP30PIK3CD
SCHEMBL22987467 0.92 NR1H2 (0.35) ADORA3ADORA1ADORA2AUSP30TRPC3

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