SCHEMBL24713569

SCHEMBL24713569

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 14/20 0.52
▸ PIK3CA P42336 5/20 0.49
▸ PIK3CD O00329 4/20 0.49
▸ PIK3CB P42338 4/20 0.49
▸ PIK3CG P48736 3/20 0.49
▸ BRD4 O60885 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PDE2A O00408 2/20 0.49
▸ PIK3R1 P27986 2/20 0.49
▸ MTOR P42345 2/20 0.49
▸ PIK3C2A O00443 1/20 0.49
▸ PIK3R2 O00459 1/20 0.49
▸ PIK3C2B O00750 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

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
SCHEMBL24713820 0.87 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29826538 0.87 PRKDC (0.54) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL24713563 0.87 PIK3CB (0.60) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL24713938 0.84 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29826867 0.84 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL24713583 0.82 PIK3CB (0.40) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29826076 0.82 PIK3CB (0.40) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1638958 0.82 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12666453 0.82 PRKDC (0.52) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL24713629 0.82 PRKDC (0.51) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG

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-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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