SCHEMBL30405270

SCHEMBL30405270

CC(C)(C)OC(=O)N1CCN(c2cc(-n3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.54
▸ MTOR P42345 14/20 0.50
▸ PIK3CD O00329 5/20 0.50
▸ PIK3CG P48736 5/20 0.50
▸ PIK3CB P42338 4/20 0.50
▸ RICTOR Q6R327 1/20 0.50
▸ RPTOR Q8N122 1/20 0.50
▸ PIK3C3 Q8NEB9 1/20 0.50
▸ MAPKAP1 Q9BPZ7 1/20 0.50
▸ MLST8 Q9BVC4 1/20 0.50
▸ ABL1 P00519 2/20 0.49
▸ MAP4K4 O95819 1/20 0.48
▸ HDAC1 Q13547 7/20 0.48
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ DDR1 Q08345 2/20 0.47
▸ TGFBR1 P36897 1/20 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
SCHEMBL20553311 1.00 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL23150477 0.88 MTOR (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL23251891 0.83 MTOR (0.52) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL24519499 0.83 MTOR (0.50) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL23251898 0.83 MTOR (0.52) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL23251799 0.83 MTOR (0.50) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL31046944 0.82 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL20553461 0.82 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL30405455 0.82 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL23157818 0.82 MTOR (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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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