SCHEMBL1865332

SCHEMBL1865332

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 12/20 0.53
▸ PIK3CD O00329 7/20 0.53
▸ PIK3CA P42336 7/20 0.53
▸ PIK3CG P48736 7/20 0.53
▸ PRKDC P78527 7/20 0.50
▸ BRD4 O60885 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PDE2A O00408 1/20 0.48
▸ PIK3C2A O00443 1/20 0.48
▸ PIK3R2 O00459 1/20 0.48
▸ PIK3C2B O00750 1/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CYP2C9 P11712 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
SCHEMBL1869817 0.87 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGMTOR
SCHEMBL1872818 0.87 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1868971 0.87 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1874022 0.84 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1867600 0.83 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL1872397 0.82 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1870317 0.81 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL1638958 0.81 PIK3CA (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL12666453 0.81 PRKDC (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPRKDC
SCHEMBL1869522 0.81 PIK3CB (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493870-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2012-09-05 — — EP disclosed
WO-2011051704-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2011-05-05 — — WO disclosed
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