SCHEMBL24713629

SCHEMBL24713629

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 15/20 0.51
▸ PIK3CA P42336 4/20 0.50
▸ PIK3CD O00329 3/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PIK3R1 P27986 2/20 0.49
▸ MTOR P42345 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PDE2A O00408 1/20 0.49
▸ PIK3C2A O00443 1/20 0.49
▸ PIK3R2 O00459 1/20 0.49
▸ PIK3C2B O00750 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ PDE5A O76074 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ PIM1 P11309 1/20 0.49

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
SCHEMBL24715021 0.89 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL24713569 0.82 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL24713529 0.81 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL29826538 0.78 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL24713820 0.78 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL24713563 0.78 PIK3CB (0.60) PIK3CAPIK3CDPIK3CGPIK3R1PIK3CB
SCHEMBL24715017 0.77 PIK3CB (0.53) PRKDCPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL24715025 0.73 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL24714393 0.73 PRKDC (0.59) PRKDCPIK3CAPIK3CDPIK3CGKDM4E
SCHEMBL3537645 0.72 PRKDC (0.68) PRKDCPIK3CAPIK3CDPIK3CGPIK3R1

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 4 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
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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