SCHEMBL30307555

SCHEMBL30307555

CC(=O)c1cc(C)cc2c(=O)cc(N3CCC3)oc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.52
▸ PRKDC P78527 7/20 0.47
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ MTOR P42345 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.44

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
SCHEMBL23887000 1.00 PIK3CA (0.52) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23886928 0.96 PIK3CA (0.56) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887066 0.88 PRKDC (0.45) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL30307540 0.88 PRKDC (0.45) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887278 0.88 PRKDC (0.50) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887303 0.87 PIK3CA (0.47) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887166 0.87 PIK3CA (0.46) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887064 0.87 PIK3CA (0.53) PIK3CAPRKDC
SCHEMBL23887310 0.84 PIK3CA (0.59) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG
SCHEMBL23887139 0.83 PIK3CA (0.43) PIK3CAPRKDCPIK3CBPIK3CDPIK3CG

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
CN-115956075-A Allosteric enone inhibitors of phosphoinositide 3-kinases (PI 3 ks) for the treatment of diseases associated with PI3K modulation 佩特拉制药公司 2023-04-11 — — CN disclosed
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