SCHEMBL6132106

SCHEMBL6132106

Cc1cc(CCOS(C)(=O)=O)c2oc(-c3ccncc3)cc(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ CYP1A2 P05177 4/20 0.46
▸ CYP1A1 P04798 3/20 0.46
▸ CYP1B1 Q16678 3/20 0.46
▸ CSNK2A2 P19784 8/20 0.44
▸ CSNK2B P67870 8/20 0.44
▸ CSNK2A1 P68400 8/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ CFTR P13569 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ QPCT Q16769 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL6132108 0.82 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL12904313 0.79 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL1461301 0.76 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL909736 0.75 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
Alcohol SCHEMBL6005491 0.73 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL910015 0.73 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL6132112 0.73 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL6132103 0.72 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL909776 0.70 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL910336 0.69 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2

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-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 — — EP disclosed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 — — WO disclosed
Send feedback