SCHEMBL1461301

SCHEMBL1461301

Cc1cc(CCNc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.61
▸ PIK3CA P42336 1/20 0.61
▸ PIK3CB P42338 1/20 0.61
▸ PIK3CG P48736 1/20 0.61
▸ CFTR P13569 2/20 0.47
▸ CYP1A2 P05177 6/20 0.46
▸ CYP1A1 P04798 5/20 0.46
▸ CYP1B1 Q16678 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ CSNK2A2 P19784 4/20 0.44
▸ CSNK2B P67870 4/20 0.44
▸ CSNK2A1 P68400 4/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL6132112 0.86 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL6132103 0.83 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL6132108 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL12904313 0.79 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL27166203 0.78 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL30002937 0.76 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL6132106 0.76 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL909694 0.76 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL27166213 0.73 BCHE (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL910015 0.72 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCFTR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4646626-B2 — — 2011-03-09 — — JP claimed
JP-2006500361-A — — 2006-01-05 — — JP claimed
EP-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 — — EP claimed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 — — WO claimed
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
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