SCHEMBL19611153

SCHEMBL19611153

Cc1c(C(=O)Nc2ccncc2)cccc1-c1nc(N2CCOCC2)nc2c1CCN2c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.61
PIK3R1 P27986 3/20 0.61
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19611147 0.93 PIK3CA (0.61) PIK3CAPIK3R1
SCHEMBL19611149 0.92 PIK3CA (0.59) PIK3CAPIK3R1
SCHEMBL12247571 0.79 PIK3CA (0.70) PIK3CAPIK3R1TP53SMN1; SMN2
SCHEMBL30503103 0.77 PIK3CA (0.81) PIK3CAPIK3R1
SCHEMBL2378083 0.77 PIK3CA (0.81) PIK3CAPIK3R1
SCHEMBL19611155 0.77 PIK3CA (0.62) PIK3CAPIK3R1
SCHEMBL2378087 0.77 PIK3CA (0.71) PIK3CAPIK3R1
SCHEMBL2378463 0.77 PIK3CA (0.67) PIK3CAPIK3R1
SCHEMBL19623407 0.77 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2379027 0.76 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