SCHEMBL24714393

SCHEMBL24714393

Cc1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 11/20 0.59
▸ PIK3CA P42336 7/20 0.56
▸ PIK3CD O00329 5/20 0.56
▸ PIK3CG P48736 4/20 0.56
▸ PIK3CB P42338 2/20 0.56
▸ P2RY12 Q9H244 5/20 0.54
▸ PIK3R1 P27986 2/20 0.51
▸ MTOR P42345 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ACE P12821 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ XRCC6 P12956 1/20 0.49
▸ XRCC5 P13010 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 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

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
SCHEMBL23887282 0.89 PIK3CA (0.47) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887233 0.88 PRKDC (0.50) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887352 0.85 PIK3CA (0.59) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887059 0.84 PIK3CA (0.51) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887297 0.84 PIK3CA (0.42) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887327 0.83 PIK3CA (0.44) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL13449184 0.82 PRKDC (0.58) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887074 0.82 ATM (0.44) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL23887347 0.81 PIK3CA (0.54) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1638958 0.81 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB

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
Send feedback