SCHEMBL30363757

SCHEMBL30363757

NCc1ccc(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.74
▸ HDAC1 Q13547 6/20 0.74
▸ PIK3CD O00329 7/20 0.67
▸ PIK3CA P42336 7/20 0.67
▸ PIK3CG P48736 7/20 0.67
▸ PIK3CB P42338 6/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ PRKDC P78527 4/20 0.66
▸ DDR1 Q08345 3/20 0.66
▸ RICTOR Q6R327 2/20 0.61
▸ RPTOR Q8N122 2/20 0.61
▸ MAPKAP1 Q9BPZ7 2/20 0.61
▸ MLST8 Q9BVC4 2/20 0.61
▸ PIK3C3 Q8NEB9 1/20 0.61
▸ HDAC3 O15379 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59

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
SCHEMBL21527964 1.00 MTOR (0.74) MTORHDAC1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL29669759 0.91 MTOR (0.71) MTORHDAC1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL20552928 0.91 MTOR (0.71) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL25678062 0.91 MTOR (0.73) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21528221 0.89 MTOR (0.66) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30404651 0.89 MTOR (0.66) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL25678264 0.85 MTOR (0.66) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23150470 0.85 MTOR (0.76) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL29172464 0.85 MTOR (0.73) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30405300 0.85 PIK3CD (0.56) MTORHDAC1PIK3CDPIK3CAPIK3CG

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 7 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
EP-3788050-B1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2024-08-28 — — EP 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
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
EP-3788049-B1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2023-03-29 — — EP disclosed
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