SCHEMBL28353592

SCHEMBL28353592

CN(C)c1ncnc2c1c(-c1ccc3oc(N)nc3c1)nn2CCCCOC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.59
▸ HDAC1 Q13547 4/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ PIK3CA P42336 5/20 0.51
▸ RICTOR Q6R327 2/20 0.51
▸ RPTOR Q8N122 2/20 0.51
▸ MAPKAP1 Q9BPZ7 2/20 0.51
▸ MLST8 Q9BVC4 2/20 0.51
▸ PIK3CD O00329 3/20 0.51
▸ PIK3CG P48736 3/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ PIK3CB P42338 2/20 0.51
▸ PRKDC P78527 1/20 0.49
▸ DDR1 Q08345 1/20 0.49

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
SCHEMBL20553010 0.88 MTOR (0.73) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL30405609 0.86 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL20553492 0.86 MTOR (0.59) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL30405139 0.86 MTOR (0.59) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL20553464 0.85 MTOR (0.61) MTORHDAC1HDAC3HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL20552724 0.84 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL29669770 0.84 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157413 0.83 MTOR (0.57) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23158102 0.82 MTOR (0.57) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157490 0.82 MTOR (0.57) MTORHDAC1HDAC3HDAC2HDAC8

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 5 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
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN disclosed
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