SCHEMBL19611183

SCHEMBL19611183

CCN1CCN(C(=O)c2cccc(NC(=O)ON3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
PIK3R1 P27986 15/20 0.60
PIK3CB P42338 3/20 0.52
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
SCHEMBL19611296 0.94 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611271 0.92 PIK3CA (0.60) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL2376387 0.89 PIK3CA (0.76) PIK3CAPIK3R1PIK3CB
SCHEMBL19611172 0.86 PIK3CA (0.80) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611234 0.86 PIK3CA (0.72) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611185 0.86 PIK3CA (0.65) PIK3CAPIK3R1PIK3CB
SCHEMBL19611279 0.85 PIK3CA (0.66) PIK3CAPIK3R1PIK3CB
SCHEMBL2377695 0.84 PIK3CA (0.60) PIK3CAPIK3R1PIK3CB
SCHEMBL19611277 0.83 PIK3CA (0.80) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL19611204 0.83 PIK3CA (0.71) PIK3CAPIK3R1PIK3CBPIK3CD

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