SCHEMBL28095991

SCHEMBL28095991

CC(O)c1cc(COC=O)cc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 18/20 0.48
▸ PIK3CD O00329 12/20 0.48
▸ PIK3CA P42336 12/20 0.48
▸ PIK3CG P48736 12/20 0.48
▸ PRKDC P78527 2/20 0.48
▸ P2RY12 Q9H244 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ TOP2B Q02880 1/20 0.45
▸ ERN2 Q76MJ5 1/20 0.45

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 0.90 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL27873587 0.82 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL28095513 0.82 PIK3CA (0.48) PIK3CDPIK3CAPIK3CGPRKDCP2RY12
SCHEMBL28095889 0.82 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL28833467 0.78 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1639079 0.77 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL27873586 0.76 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1637732 0.76 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1639036 0.74 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1639091 0.74 PIK3CB (0.73) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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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