SCHEMBL19611191

SCHEMBL19611191

Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3OC(=O)Nc2ccc(-c3cccnc3)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.59
PIK3R1 P27986 17/20 0.59
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL19611165 0.92 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611293 0.89 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611166 0.89 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611260 0.88 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2378024 0.87 PIK3CA (0.79) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611241 0.85 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611213 0.83 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611194 0.83 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611181 0.83 PIK3CA (0.57) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19611168 0.83 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CB

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed