SCHEMBL31046955

SCHEMBL31046955

CC(C)(C)OC(=O)N1CCc2cc(Cn3nc(-c4cc5cc(O)ccc5[nH]4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 8/20 0.48
▸ KDR P35968 5/20 0.48
▸ TGFBR1 P36897 4/20 0.48
▸ PIK3CD O00329 3/20 0.48
▸ BMPR1B O00238 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ PIK3C2B O00750 1/20 0.48
▸ CASK O14936 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ EPHB6 O15197 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ PIP5K1C O60331 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ RPS6KA4 O75676 1/20 0.48
▸ STK16 O75716 1/20 0.48
▸ PIK3C2G O75747 1/20 0.48

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
SCHEMBL20553303 1.00 RET (0.48) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL30029909 1.00 RET (0.48) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL31046963 0.90 TGFBR1 (0.43) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL20552910 0.90 TGFBR1 (0.43) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL30030449 0.90 TGFBR1 (0.43) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL23150437 0.90 RET (0.50) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL30405221 0.89 RET (0.46) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL30405239 0.86 TGFBR1 (0.40) RETKDRTGFBR1PIK3CDBMPR1B
SCHEMBL20552990 0.81 ESR2 (0.48) TGFBR1PIK3CDMAP4K4ABL1EGFR
SCHEMBL29867555 0.81 ESR2 (0.48) TGFBR1PIK3CDMAP4K4ABL1EGFR

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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