SCHEMBL19611181

SCHEMBL19611181

Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3OC(=O)Nc2ccc(NCCN3CCOCC3)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.57
PIK3R1 P27986 12/20 0.57
PIK3CB P42338 2/20 0.49
PIK3CD O00329 1/20 0.49
PIK3C2B O00750 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49

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
SCHEMBL19611203 0.95 PIK3CA (0.56) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611246 0.93 PIK3CA (0.56) PIK3CAPIK3R1PIK3CB
SCHEMBL19611293 0.89 PIK3CA (0.64) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611252 0.88 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2376133 0.87 PIK3CA (0.76) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611160 0.87 PIK3CA (0.54) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611166 0.87 PIK3CA (0.75) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611202 0.86 PIK3CA (0.54) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611165 0.85 PIK3CA (0.61) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL19611225 0.85 PIK3CA (0.65) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B

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