SCHEMBL19623701

SCHEMBL19623701

Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCCN3c2cccc(CC(=O)N3CCNCC3)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
PIK3R1 P27986 9/20 0.53

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
SCHEMBL2379092 0.95 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2378653 0.89 PIK3CA (0.61) PIK3CAPIK3R1
SCHEMBL2377308 0.87 PIK3CA (0.76) PIK3CAPIK3R1
SCHEMBL2378651 0.86 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2378053 0.86 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL2377839 0.85 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL2378066 0.81 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL2376198 0.81 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2376520 0.80 PIK3CA (0.74) PIK3CAPIK3R1
SCHEMBL2376547 0.79 PIK3CA (0.64) PIK3CAPIK3R1

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 disclosed