SCHEMBL30578964

SCHEMBL30578964

NCCS(=O)(=O)N1CCc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.56
▸ HDAC1 Q13547 10/20 0.56
▸ PIK3CD O00329 7/20 0.53
▸ PIK3CG P48736 7/20 0.53
▸ PIK3CA P42336 6/20 0.53
▸ PIK3CB P42338 5/20 0.53
▸ PRKDC P78527 3/20 0.53
▸ DDR1 Q08345 3/20 0.53
▸ ABL1 P00519 2/20 0.52
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ RICTOR Q6R327 1/20 0.46
▸ RPTOR Q8N122 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ MAPKAP1 Q9BPZ7 1/20 0.46
▸ MLST8 Q9BVC4 1/20 0.46
▸ PIK3R2 O00459 1/20 0.43
▸ CHEK2 O96017 1/20 0.43

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
SCHEMBL21528183 1.00 MTOR (0.56) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL25678259 0.94 MTOR (0.55) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL28517565 0.90 MTOR (0.55) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL21528092 0.90 MTOR (0.57) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL30405342 0.89 MTOR (0.43) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL23251827 0.87 MTOR (0.51) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL23251647 0.86 MTOR (0.53) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL29669781 0.86 MTOR (0.53) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL24519411 0.85 MTOR (0.60) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL24685344 0.84 MTOR (0.60) MTORHDAC1PIK3CDPIK3CGPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788050-B1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2024-08-28 — — EP disclosed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
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