SCHEMBL28946196

SCHEMBL28946196

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.50
▸ PIK3CD O00329 4/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ PRKDC P78527 15/20 0.48
▸ P2RY12 Q9H244 2/20 0.47
▸ XRCC6 P12956 1/20 0.47
▸ XRCC5 P13010 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PIK3R1 P27986 2/20 0.46
▸ MTOR P42345 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ PIK3C2A O00443 1/20 0.46
▸ PIK3R2 O00459 1/20 0.46
▸ PIK3C2B O00750 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL27889939 0.85 PRKDC (0.57) PIK3CAPIK3CDPIK3CGPRKDCP2RY12
SCHEMBL27873587 0.82 PIK3CB (0.50) PIK3CAPIK3CDPIK3CGPRKDCPIK3CB
SCHEMBL1638958 0.82 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPRKDCXRCC6
SCHEMBL28095513 0.80 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGPRKDCP2RY12
SCHEMBL13449184 0.79 PRKDC (0.58) PIK3CAPIK3CDPIK3CGPRKDCP2RY12
SCHEMBL24714393 0.78 PRKDC (0.59) PIK3CAPIK3CDPIK3CGPRKDCP2RY12
SCHEMBL13276510 0.78 PIK3CB (0.58) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL27951098 0.78 PIK3CB (0.46) PIK3CAPIK3CDPIK3CGPRKDCXRCC6
SCHEMBL27937987 0.78 PIK3CB (0.46) PIK3CAPIK3CDPIK3CGPRKDCXRCC6
SCHEMBL1638322 0.76 PRKDC (0.55) PIK3CAPIK3CDPIK3CGPRKDCP2RY12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596948-B Benzopyranone compounds as PI 3-kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2016-04-27 — — CN disclosed
CN-104447657-A CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB 2015-03-25 — — CN disclosed
CN-102712615-B Chromenone Derivatives with Antitumor Activity ASTRAZENECA AB 2014-12-17 — — CN disclosed
CN-103596948-A Benzopyranone compounds as PI 3-kinase inhibitors for the treatment of cancer ASTRAZENECA AB 2014-02-19 — — CN disclosed
CN-102712615-A Chromenone Derivatives with Antitumor Activity ASTRAZENECA AB 2012-10-03 — — CN disclosed
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