SCHEMBL1871789

SCHEMBL1871789

CN(C)C(=O)c1cc(CCN(C)c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 20/20 0.83
▸ PIK3CD O00329 9/20 0.83
▸ PIK3CA P42336 9/20 0.83
▸ PIK3CG P48736 9/20 0.83
▸ KCNH2 Q12809 1/20 0.66
▸ PIK3R1 P27986 1/20 0.61
▸ TOP2B Q02880 1/20 0.61
▸ ERN2 Q76MJ5 1/20 0.61

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
SCHEMBL1868414 0.94 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1869585 0.93 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1873479 0.93 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1869522 0.93 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1867620 0.92 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1868230 0.92 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1873837 0.91 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1868654 0.90 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1868669 0.89 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL1869770 0.89 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2

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
Send feedback