SCHEMBL19611196

SCHEMBL19611196

CN1CCN(C(=O)c2ccc(CCN(C)C(=O)ON3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3R1 P27986 12/20 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
SCHEMBL19611156 0.93 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL2376000 0.88 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL19611294 0.88 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL19611237 0.88 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL19611287 0.87 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL19611177 0.86 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2378927 0.82 PIK3CA (0.70) PIK3CAPIK3R1
SCHEMBL2376475 0.81 PIK3CA (0.70) PIK3CAPIK3R1
SCHEMBL19611268 0.80 PIK3CA (0.62) PIK3CAPIK3R1
SCHEMBL2377215 0.80 PIK3CA (1.00) 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 claimed