SCHEMBL29217570

SCHEMBL29217570

C[C@@H]1CN(c2c(=O)n(C)n3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)nc5)cc4c23)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 4/20 0.52
▸ ATR Q13535 3/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ MCHR1 Q99705 14/20 0.43
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ AOC3 Q16853 1/20 0.40

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
SCHEMBL30011734 1.00 ATM (0.52) ATMATRPIK3CAMTORMCHR1
SCHEMBL29217572 0.80 ATM (0.45) ATMATRPIK3CAMTORMCHR1
SCHEMBL30012584 0.79 ATM (0.54) ATMATRPIK3CAMTOR
SCHEMBL29688206 0.72 ATM (0.44) ATMATRPIK3CAMTORMCHR1
SCHEMBL30011984 0.71 ATM (0.45) ATMATRPIK3CAMTORMCHR1
SCHEMBL29217613 0.71 ATM (0.45) ATMATRPIK3CAMTORMCHR1
SCHEMBL29217578 0.71 MTOR (0.45) ATMATRPIK3CAMTORTLR9
SCHEMBL18824720 0.71 ATM (0.65) ATMATRPIK3CAMTOR
SCHEMBL30012567 0.71 MTOR (0.45) ATMATRPIK3CAMTORTLR9
SCHEMBL18824793 0.71 ATM (0.67) ATMATRPIK3CAMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
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