SCHEMBL31046949

SCHEMBL31046949

CC(C)(C)OC(=O)N1CC(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)C1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 14/20 0.67
▸ PIK3CD O00329 6/20 0.67
▸ PIK3CG P48736 6/20 0.67
▸ PIK3CA P42336 5/20 0.67
▸ PIK3CB P42338 4/20 0.67
▸ PRKDC P78527 3/20 0.67
▸ DDR1 Q08345 3/20 0.67
▸ ABL1 P00519 2/20 0.65
▸ TGFBR1 P36897 2/20 0.63
▸ HDAC1 Q13547 8/20 0.61
▸ HDAC8 Q9BY41 3/20 0.58
▸ HDAC6 Q9UBN7 3/20 0.58
▸ PIK3R2 O00459 1/20 0.56
▸ CHEK2 O96017 1/20 0.56
▸ HDAC3 O15379 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56

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
SCHEMBL21528079 1.00 MTOR (0.67) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30029418 1.00 MTOR (0.67) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405170 0.94 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20553170 0.94 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL31046978 0.94 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405290 0.93 MTOR (0.64) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL31046967 0.92 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20552950 0.92 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405677 0.92 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL23150481 0.88 MTOR (0.74) MTORPIK3CDPIK3CGPIK3CAPIK3CB

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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