SCHEMBL28353780

SCHEMBL28353780

NC(=O)OCCCCn1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 19/20 0.56
▸ KDR P35968 12/20 0.52
▸ PIK3CD O00329 2/20 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
▸ STK17B O94768 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
SCHEMBL28357401 0.93 RET (0.57) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL30405191 0.86 RET (0.57) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL20552974 0.86 RET (0.57) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL20553584 0.84 RET (0.58) RETKDRPIK3CDBMPR1BPLK4
Trifluoroacetic Acid SCHEMBL29669791 0.83 RET (0.54) RETKDRPIK3CDBMPR1BPLK4
Trifluoroacetic Acid SCHEMBL21528139 0.83 RET (0.54) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL23157800 0.81 RET (0.55) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL29669709 0.81 RET (0.55) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL28353223 0.80 RET (0.47) RETKDRPIK3CDBMPR1BPLK4
SCHEMBL21528193 0.79 RET (0.63) RETKDRPIK3CDBMPR1BPLK4

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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