SCHEMBL29202804

SCHEMBL29202804

COC(=O)c1ccccc1NC(C)c1cc(C)cc2c(=O)cc(-c3ccc4ncccc4n3)oc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.49
▸ PIK3CB P42338 2/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CG P48736 1/20 0.46

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
SCHEMBL30322526 1.00 PIK3CA (0.49) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL29202737 0.92 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30770735 0.92 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25683181 0.88 PIK3CA (0.54) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24679199 0.86 PIK3CA (0.56) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322487 0.83 PIK3CA (0.58) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25685461 0.82 PIK3CA (0.69) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL31516558 0.81 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25683183 0.81 PIK3CA (0.56) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322610 0.81 PIK3CA (0.46) PIK3CAPIK3CBMTORPRKDCPIK3C3

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-117769546-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-26 — — CN disclosed
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