SCHEMBL24713820

SCHEMBL24713820

C=Cc1cc(C(=O)OC)cc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 11/20 0.54
▸ PIK3CB P42338 5/20 0.52
▸ PIK3CD O00329 4/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CG P48736 4/20 0.52
▸ PIK3R2 O00459 1/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ P2RY12 Q9H244 4/20 0.48

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
SCHEMBL29826538 1.00 PRKDC (0.54) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24713625 0.90 PRKDC (0.53) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24713569 0.87 PRKDC (0.52) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL29826321 0.86 PIK3CA (0.50) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL29160434 0.86 PIK3CA (0.50) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24713841 0.86 PIK3CA (0.50) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24713563 0.85 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL29826521 0.84 PRKDC (0.41) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24713942 0.84 PRKDC (0.41) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL12666449 0.84 PRKDC (0.55) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG

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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