SCHEMBL12667204

SCHEMBL12667204

C=C(c1cc(C(C)=O)c2oc(N3CCOCC3)cc(=O)c2c1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.53
▸ PIK3CB P42338 18/20 0.52
▸ PIK3CD O00329 9/20 0.52
▸ PIK3CA P42336 9/20 0.52
▸ PIK3CG P48736 9/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ PIK3R1 P27986 1/20 0.49
▸ TOP2B Q02880 1/20 0.49
▸ ERN2 Q76MJ5 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
SCHEMBL1638180 0.89 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1636575 0.85 PRKDC (0.57) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1639250 0.82 PRKDC (0.55) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1636854 0.80 PIK3CB (0.67) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15867056 0.78 PRKDC (0.53) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL27889932 0.76 PRKDC (0.55) PRKDCPIK3CDPIK3CAPIK3R1
SCHEMBL13449184 0.76 PRKDC (0.58) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1637213 0.76 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL12667804 0.76 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL27889939 0.76 PRKDC (0.57) PRKDCPIK3CBPIK3CDPIK3CAPIK3CG

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-2011051704-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2011-05-05 — — WO disclosed
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