SCHEMBL12666453

SCHEMBL12666453

Bc1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 14/20 0.52
▸ PIK3CA P42336 6/20 0.51
▸ PIK3CB P42338 6/20 0.51
▸ PIK3CD O00329 5/20 0.51
▸ PIK3CG P48736 4/20 0.51
▸ BRD4 O60885 2/20 0.51
▸ MTOR P42345 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PIK3R1 P27986 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ XRCC6 P12956 1/20 0.49
▸ XRCC5 P13010 1/20 0.49
▸ PDE2A O00408 1/20 0.49
▸ PIK3C2A O00443 1/20 0.49
▸ PIK3R2 O00459 1/20 0.49
▸ PIK3C2B O00750 1/20 0.49
▸ PDE5A O76074 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 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
SCHEMBL12667804 0.86 PIK3CB (0.63) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL12666449 0.86 PRKDC (0.55) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1638958 0.85 PIK3CA (0.53) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1636575 0.84 PRKDC (0.57) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL24713569 0.82 PRKDC (0.52) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1865332 0.81 PIK3CB (0.53) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1639079 0.81 PIK3CB (0.60) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL29160429 0.77 PRKDC (0.65) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL27998640 0.75 PIK3CB (0.63) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL13449184 0.74 PRKDC (0.58) PRKDCPIK3CAPIK3CBPIK3CDPIK3CG

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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