SCHEMBL19611182

SCHEMBL19611182

CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)O)cn1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.77
PIK3R1 P27986 8/20 0.58
MTOR P42345 3/20 0.51
PIK3CD O00329 1/20 0.51
PIK3C2B O00750 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL19611219 0.92 PIK3CA (0.75) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2376306 0.87 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL2377651 0.85 PIK3CA (0.71) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2375607 0.84 PIK3CA (0.70) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2377755 0.84 PIK3CA (0.70) PIK3CAPIK3R1MTORPIK3CB
SCHEMBL2378142 0.82 PIK3CA (0.74) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2376069 0.81 PIK3CA (0.69) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2376845 0.81 PIK3CA (0.89) PIK3CAPIK3R1
SCHEMBL2377486 0.81 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDPIK3C2B
SCHEMBL2376464 0.81 PIK3CA (0.85) PIK3CAPIK3R1MTORPIK3CDPIK3C2B

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