SCHEMBL25677293

SCHEMBL25677293

COC(=O)c1ccccc1NC(C)c1cc(C)cc2c(=O)cc(-c3ccc4nn(C)cc4c3)oc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CG P48736 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
SCHEMBL31516551 1.00 PIK3CA (0.48) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322342 0.93 PIK3CA (0.46) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30434264 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30434388 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25677298 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25222709 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322519 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25677299 0.92 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL31516612 0.90 PIK3CA (0.44) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL31516559 0.90 PIK3CA (0.47) 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
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 — — WO disclosed
Send feedback