SCHEMBL29867532

SCHEMBL29867532

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.56
▸ HDAC1 Q13547 9/20 0.56
▸ PIK3CD O00329 5/20 0.50
▸ PIK3CA P42336 5/20 0.50
▸ PIK3CG P48736 5/20 0.50
▸ PIK3CB P42338 4/20 0.50
▸ PRKDC P78527 3/20 0.50
▸ DDR1 Q08345 3/20 0.50
▸ ABL1 P00519 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50

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 0.89 MTOR (0.58) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL29867929 0.89 MTOR (0.58) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL20553360 0.89 MTOR (0.58) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24519483 0.88 MTOR (0.61) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251625 0.88 MTOR (0.62) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24519456 0.88 MTOR (0.55) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30405224 0.88 MTOR (0.50) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23150559 0.88 MTOR (0.63) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23988134 0.87 MTOR (0.55) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251581 0.87 MTOR (0.55) 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-4320101-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216900-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2022-10-13 — — WO disclosed
Send feedback