SCHEMBL19611172

SCHEMBL19611172

CCN1CCN(C(=O)c2ccc(NC(=O)ON3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c(C)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.80
PIK3R1 P27986 14/20 0.80
PIK3CB P42338 3/20 0.53
PIK3CD O00329 2/20 0.48

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
SCHEMBL19611234 0.95 PIK3CA (0.72) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611281 0.94 PIK3CA (0.69) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611254 0.92 PIK3CA (0.68) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611292 0.91 PIK3CA (0.77) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611277 0.90 PIK3CA (0.80) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611279 0.90 PIK3CA (0.66) PIK3CAPIK3R1PIK3CB
SCHEMBL2375213 0.89 PIK3CA (1.00) PIK3CAPIK3R1PIK3CB
SCHEMBL19611185 0.88 PIK3CA (0.65) PIK3CAPIK3R1PIK3CB
SCHEMBL19611188 0.88 PIK3CA (0.63) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL2377881 0.88 PIK3CA (0.87) PIK3CAPIK3R1PIK3CB

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