SCHEMBL31046941

SCHEMBL31046941

CN(C)c1ncnc2c1c(-c1ccc3oc(N)nc3c1)nn2Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.48
▸ HDAC1 Q13547 9/20 0.48
▸ PIK3CA P42336 5/20 0.43
▸ PIK3CD O00329 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ PRKDC P78527 2/20 0.41
▸ DDR1 Q08345 2/20 0.41
▸ RICTOR Q6R327 1/20 0.40
▸ RPTOR Q8N122 1/20 0.40
▸ MAPKAP1 Q9BPZ7 1/20 0.40
▸ MLST8 Q9BVC4 1/20 0.40
▸ TGFBR1 P36897 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
SCHEMBL21528068 1.00 MTOR (0.48) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL29867929 0.92 MTOR (0.58) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL30740011 0.92 MTOR (0.58) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL20553360 0.92 MTOR (0.58) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL24519417 0.87 MTOR (0.47) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL23988184 0.86 MTOR (0.46) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL23251851 0.86 MTOR (0.46) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL23251717 0.86 MTOR (0.46) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL23251690 0.86 MTOR (0.46) MTORHDAC1PIK3CAPIK3CDPIK3CG
SCHEMBL30405758 0.85 MTOR (0.52) MTORHDAC1PIK3CAPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978535-A C40-, C28-and C32-linked rapamycin analogues as mTOR inhibitors 锐新医药公司 2024-11-19 — — CN disclosed
CN-118894869-A C40-, C28-and C32-linked rapamycin analogues as mTOR inhibitors 锐新医药公司 2024-11-05 — — CN disclosed
CN-112771054-B C40-, C28-and C32-linked rapamycin analogues as mTOR inhibitors 锐新医药公司 2024-08-16 — — CN disclosed
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