SCHEMBL31046944

SCHEMBL31046944

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.60
▸ PIK3CA P42336 6/20 0.60
▸ PIK3CD O00329 5/20 0.60
▸ PIK3CB P42338 5/20 0.60
▸ PIK3CG P48736 5/20 0.60
▸ SRC P12931 3/20 0.60
▸ KDR P35968 3/20 0.60
▸ ABL1 P00519 3/20 0.60
▸ PRKDC P78527 2/20 0.60
▸ EGFR P00533 1/20 0.60
▸ HCK P08631 1/20 0.60
▸ EPHB4 P54760 1/20 0.60
▸ PI4KB Q9UBF8 1/20 0.60
▸ RET P07949 2/20 0.55
▸ TGFBR1 P36897 2/20 0.54
▸ HDAC1 Q13547 3/20 0.52
▸ RICTOR Q6R327 1/20 0.52
▸ RPTOR Q8N122 1/20 0.52
▸ PIK3C3 Q8NEB9 1/20 0.52
▸ MAPKAP1 Q9BPZ7 1/20 0.52

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
SCHEMBL30405455 1.00 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20553461 1.00 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL7906422 0.88 SRC (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL23150471 0.88 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31046967 0.87 TGFBR1 (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20552950 0.87 TGFBR1 (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30405677 0.87 TGFBR1 (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30405094 0.86 SRC (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4820128 0.85 SRC (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20553170 0.84 TGFBR1 (0.72) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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
Send feedback