SCHEMBL25113256

SCHEMBL25113256

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.58
▸ HDAC1 Q13547 9/20 0.58
▸ HDAC3 O15379 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ PIK3CD O00329 5/20 0.52
▸ PIK3CA P42336 5/20 0.52
▸ PIK3CG P48736 5/20 0.52
▸ PIK3CB P42338 4/20 0.52
▸ ABL1 P00519 2/20 0.52
▸ PRKDC P78527 3/20 0.49
▸ DDR1 Q08345 3/20 0.49

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
SCHEMBL23988089 0.92 MTOR (0.60) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251778 0.91 MTOR (0.56) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157523 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL29867644 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL21528059 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251869 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251935 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251825 0.91 MTOR (0.55) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251924 0.90 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL24519483 0.90 MTOR (0.61) MTORHDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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