SCHEMBL28357401

SCHEMBL28357401

NC(=O)OCCCCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.57
▸ KDR P35968 11/20 0.57
▸ PIK3CD O00329 3/20 0.57
▸ SRC P12931 3/20 0.57
▸ TGFBR1 P36897 2/20 0.57
▸ MTOR P42345 2/20 0.57
▸ ABL1 P00519 2/20 0.57
▸ BMPR1B O00238 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ PIK3C2B O00750 1/20 0.57
▸ CASK O14936 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ EPHB6 O15197 1/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ MAP3K7 O43318 1/20 0.57
▸ RIPK2 O43353 1/20 0.57
▸ PIP5K1C O60331 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ BRD4 O60885 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.57

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
SCHEMBL28353780 0.93 RET (0.56) RETKDRPIK3CDSRCTGFBR1
SCHEMBL21528193 0.86 RET (0.63) RETKDRPIK3CDSRCTGFBR1
SCHEMBL30404443 0.86 RET (0.63) RETKDRPIK3CDSRCTGFBR1
SCHEMBL26064027 0.85 RET (0.56) RETKDRPIK3CDSRCTGFBR1
SCHEMBL30405924 0.85 RET (0.52) RETKDRPIK3CDSRCTGFBR1
SCHEMBL28353223 0.85 RET (0.47) RETKDRPIK3CDSRCTGFBR1
SCHEMBL20552898 0.84 RET (0.57) RETKDRPIK3CDSRCTGFBR1
SCHEMBL12422357 0.84 RET (0.65) RETKDRPIK3CDSRCTGFBR1
Trifluoroacetic Acid SCHEMBL21528199 0.83 RET (0.55) RETKDRPIK3CDSRCTGFBR1
Trifluoroacetic Acid SCHEMBL29669754 0.83 RET (0.55) RETKDRPIK3CDSRCTGFBR1

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 4 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-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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