SCHEMBL28095513

SCHEMBL28095513

O=COCc1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ P2RY12 Q9H244 5/20 0.48
▸ PRKDC P78527 14/20 0.47
▸ PIK3R1 P27986 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ XRCC6 P12956 1/20 0.43
▸ XRCC5 P13010 1/20 0.43

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
SCHEMBL28095884 0.84 PIK3CB (0.48) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL28095991 0.82 PIK3CB (0.48) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL28946196 0.80 PIK3CA (0.50) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL24714393 0.76 PRKDC (0.59) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL28095889 0.75 PIK3CB (0.67) PIK3CAPIK3CDPIK3CG
SCHEMBL1638958 0.73 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPRKDCPIK3R1
SCHEMBL13449184 0.72 PRKDC (0.58) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL15541001 0.72 PRKDC (0.71) PIK3CAPIK3CDPIK3CGPRKDCPIK3R1
SCHEMBL1638322 0.72 PRKDC (0.55) PIK3CAPIK3CDPIK3CGP2RY12PRKDC
SCHEMBL28946192 0.72 P2RY12 (0.53) PIK3CAPIK3CDPIK3CGP2RY12PRKDC

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
CN-104447657-B There is the chromene ketone derivatives of anti-tumor activity 阿斯利康(瑞典)有限公司 2016-08-17 — — CN disclosed
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