SCHEMBL26067850

SCHEMBL26067850

Nc1nc2cc(-c3nn(Cc4ccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCO)cc4)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.65
▸ HDAC1 Q13547 7/20 0.65
▸ HDAC3 O15379 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ PIK3CD O00329 5/20 0.53
▸ PIK3CA P42336 5/20 0.53
▸ PIK3CG P48736 5/20 0.53
▸ PIK3CB P42338 4/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ PRKDC P78527 3/20 0.51
▸ DDR1 Q08345 3/20 0.51

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
SCHEMBL23251700 0.94 MTOR (0.65) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157810 0.94 MTOR (0.65) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251499 0.94 MTOR (0.64) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL24519520 0.92 MTOR (0.66) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157809 0.90 MTOR (0.60) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251730 0.86 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL25113222 0.86 MTOR (0.69) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23157600 0.86 MTOR (0.69) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL20553600 0.86 MTOR (0.69) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251706 0.86 MTOR (0.58) 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-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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