SCHEMBL18193166

SCHEMBL18193166

Nc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
MTOR P42345 2/20 0.62
PIK3CD O00329 2/20 0.57
PIK3CG P48736 3/20 0.57
PIK3CB P42338 2/20 0.57
PIK3R1 P27986 1/20 0.56
HRH4 Q9H3N8 1/20 0.54

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
SCHEMBL1311669 0.91 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1309740 0.88 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL12499681 0.85 PIK3CA (0.73) PIK3CAMTORPIK3CGPIK3R1HRH4
SCHEMBL15386510 0.85 HRH4 (0.75) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL908397 0.84 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL15386499 0.81 PIK3CA (0.69) PIK3CAMTORPIK3R1HRH4
SCHEMBL908873 0.81 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL14614250 0.80 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1311825 0.80 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1309606 0.80 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed