SCHEMBL28946192

SCHEMBL28946192

CC(=O)Oc1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 7/20 0.53
▸ PRKDC P78527 11/20 0.51
▸ PDE2A O00408 1/20 0.49
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ XRCC6 P12956 1/20 0.48
▸ XRCC5 P13010 1/20 0.48

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
SCHEMBL27889932 0.87 PRKDC (0.55) P2RY12PRKDCPDE2APIK3CDPIK3CA
SCHEMBL27873586 0.84 PIK3CB (0.51) P2RY12PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL13449184 0.82 PRKDC (0.58) P2RY12PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL8881978 0.82 P2RY12 (0.55) P2RY12PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL1638322 0.80 PRKDC (0.55) P2RY12PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL24714393 0.79 PRKDC (0.59) P2RY12PRKDCPDE2APIK3CDPIK3CA
SCHEMBL1638958 0.79 PIK3CA (0.53) PRKDCPDE2APIK3CDPIK3CAPIK3CG
SCHEMBL27951095 0.78 P2RY12 (0.44) P2RY12PRKDCPDE2APIK3CDPIK3CA
SCHEMBL27937985 0.78 P2RY12 (0.44) P2RY12PRKDCPDE2APIK3CDPIK3CA
SCHEMBL1637213 0.77 PIK3CB (0.63) PIK3CDPIK3CAPIK3CG

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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