SCHEMBL25113274

SCHEMBL25113274

NCCSN1CCc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.56
▸ HDAC1 Q13547 10/20 0.56
▸ PIK3CD O00329 7/20 0.53
▸ PIK3CA P42336 7/20 0.53
▸ PIK3CG P48736 7/20 0.53
▸ PIK3CB P42338 6/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ PRKDC P78527 4/20 0.53
▸ DDR1 Q08345 3/20 0.53
▸ RICTOR Q6R327 2/20 0.47
▸ RPTOR Q8N122 2/20 0.47
▸ MAPKAP1 Q9BPZ7 2/20 0.47
▸ MLST8 Q9BVC4 2/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47

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
SCHEMBL24519411 0.86 MTOR (0.60) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24685344 0.84 MTOR (0.60) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21528183 0.84 MTOR (0.56) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30578964 0.84 MTOR (0.56) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23150559 0.84 MTOR (0.63) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251625 0.83 MTOR (0.62) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL25113256 0.82 MTOR (0.58) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL25678259 0.82 MTOR (0.55) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24519483 0.82 MTOR (0.61) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23988089 0.81 MTOR (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — 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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