SCHEMBL30405758

SCHEMBL30405758

CC(C)(C)OC(=O)N1CCc2cc(CCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.52
▸ HDAC1 Q13547 7/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ PIK3CD O00329 4/20 0.51
▸ PIK3CA P42336 4/20 0.51
▸ PIK3CG P48736 4/20 0.51
▸ PIK3CB P42338 3/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ PRKDC P78527 2/20 0.49
▸ DDR1 Q08345 2/20 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
SCHEMBL30740011 0.93 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL20553360 0.93 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL29867929 0.93 MTOR (0.58) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL31046941 0.85 MTOR (0.48) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL21528068 0.85 MTOR (0.48) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23251625 0.83 MTOR (0.62) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL21527989 0.83 MTOR (0.51) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL30805610 0.83 MTOR (0.51) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL23150559 0.82 MTOR (0.63) MTORHDAC1HDAC3HDAC2HDAC8
SCHEMBL29867532 0.82 MTOR (0.56) 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-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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