SCHEMBL24713938

SCHEMBL24713938

C=Cc1cc(C(=O)O)cc2c(=O)cc(N3CCO[C@H](C)C3)oc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.53
▸ MTOR P42345 1/20 0.53
▸ PRKDC P78527 1/20 0.53
▸ PIK3CB P42338 19/20 0.51
▸ PIK3CD O00329 6/20 0.51
▸ PIK3CG P48736 6/20 0.51

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
SCHEMBL29826867 1.00 PIK3CA (0.53) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29825967 0.89 PIK3CB (0.64) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29826321 0.89 PIK3CA (0.50) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29160487 0.89 PIK3CB (0.64) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL24713841 0.89 PIK3CA (0.50) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29160434 0.89 PIK3CA (0.50) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29160464 0.89 PIK3CB (0.64) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL24713583 0.86 PIK3CB (0.40) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL29826076 0.86 PIK3CB (0.40) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL24713569 0.84 PRKDC (0.52) PIK3CAMTORPRKDCPIK3CBPIK3CD

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
CN-117615763-A Phosphoinositide 3 kinase beta inhibitor, composition and preparation method thereof 健道生物医药有限公司 2024-02-27 — — CN disclosed
WO-2022164812-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2022-08-04 — — WO disclosed
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