SCHEMBL29826668

SCHEMBL29826668

CN(C)C(=O)c1cc(CBr)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 20/20 0.71
▸ PIK3CD O00329 10/20 0.71
▸ PIK3CA P42336 10/20 0.71
▸ PIK3CG P48736 10/20 0.71
▸ KCNH2 Q12809 2/20 0.62
▸ PRKDC P78527 1/20 0.61
▸ PIK3R1 P27986 1/20 0.60
▸ TOP2B Q02880 1/20 0.60
▸ ERN2 Q76MJ5 1/20 0.60

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
SCHEMBL12668366 0.92 PIK3CB (0.75) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1871780 0.92 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
Bromide SCHEMBL1868104 0.91 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL29826268 0.90 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1868971 0.88 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1866324 0.88 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1637213 0.86 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1639045 0.84 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1638180 0.84 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL12667804 0.84 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2

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 3 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
EP-4284375-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Geode Therapeutics Inc. (US) 2023-12-06 — — EP 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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