SCHEMBL1874022

SCHEMBL1874022

C[C@@H]1CN(c2cc(=O)c3cc(C(=O)O)cc(CCO)c3o2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 19/20 0.59
▸ PIK3CA P42336 7/20 0.59
▸ PIK3CD O00329 6/20 0.59
▸ PIK3CG P48736 6/20 0.59
▸ MTOR P42345 1/20 0.52
▸ PRKDC P78527 1/20 0.52

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
SCHEMBL1869519 0.90 PIK3CB (0.73) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL1869138 0.90 PIK3CB (0.56) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL1865332 0.84 PIK3CB (0.53) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL1872855 0.84 PIK3CB (0.74) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL24713938 0.81 PIK3CA (0.53) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL1638560 0.81 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL1638566 0.81 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL29826867 0.81 PIK3CA (0.53) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL1866749 0.81 PIK3CB (0.72) PIK3CBPIK3CAPIK3CDPIK3CG
Bromide SCHEMBL1865317 0.81 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CG

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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