SCHEMBL28517565

SCHEMBL28517565

NC(=O)OCCS(=O)(=O)N1CCc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.55
▸ HDAC1 Q13547 9/20 0.55
▸ PIK3CD O00329 5/20 0.49
▸ PIK3CA P42336 5/20 0.49
▸ PIK3CG P48736 5/20 0.49
▸ PIK3CB P42338 4/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ PRKDC P78527 3/20 0.49
▸ DDR1 Q08345 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47

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
SCHEMBL30578964 0.90 MTOR (0.56) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21528183 0.90 MTOR (0.56) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL25678259 0.89 MTOR (0.55) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21528092 0.88 MTOR (0.57) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251647 0.86 MTOR (0.53) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL29669781 0.86 MTOR (0.53) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251827 0.85 MTOR (0.51) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL29155328 0.85 MTOR (0.54) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251731 0.85 MTOR (0.50) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23252074 0.85 MTOR (0.50) MTORHDAC1PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 — — CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 — — CN disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 — — CN disclosed
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