SCHEMBL8008124

SCHEMBL8008124

FC(F)c1nc2ccccc2n1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.69
PIK3CD O00329 13/20 0.69
PIK3CA P42336 12/20 0.69
PIK3CG P48736 11/20 0.69
PIK3R1 P27986 4/20 0.69
PIK3C2B O00750 1/20 0.69
MTOR P42345 1/20 0.69

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
SCHEMBL8014950 0.92 PIK3CA (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8003233 0.91 PIK3CA (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8010377 0.88 PIK3CA (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8012804 0.86 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8009124 0.84 PIK3CA (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8010974 0.84 PIK3CA (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL1309409 0.84 PIK3CA (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8008709 0.83 PIK3CA (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL8008306 0.83 PIK3CA (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Zstk-474 SCHEMBL373282 0.83 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed