SCHEMBL19611173

SCHEMBL19611173

CN(C(=O)ON1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
PIK3R1 P27986 12/20 0.55
PIK3CB P42338 1/20 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
SCHEMBL19611175 0.93 PIK3CA (0.58) PIK3CAPIK3R1PIK3CB
SCHEMBL19611226 0.93 PIK3CA (0.62) PIK3CAPIK3R1PIK3CB
SCHEMBL19611180 0.92 PIK3CA (0.56) PIK3CAPIK3R1PIK3CB
SCHEMBL19611211 0.92 PIK3CA (0.60) PIK3CAPIK3R1PIK3CB
SCHEMBL19611233 0.89 PIK3CA (0.57) PIK3CAPIK3R1PIK3CB
SCHEMBL2378656 0.88 PIK3CA (0.72) PIK3CAPIK3R1PIK3CB
SCHEMBL19611217 0.88 PIK3CA (0.57) PIK3CAPIK3R1PIK3CB
SCHEMBL19611240 0.85 PIK3CA (0.60) PIK3CAPIK3R1PIK3CB
SCHEMBL19611164 0.85 PIK3CA (0.74) PIK3CAPIK3R1PIK3CB
SCHEMBL19611199 0.84 PIK3CA (0.60) 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