SCHEMBL19623563

SCHEMBL19623563

CN1CCN(CCCN(C)c2ccc(NNN3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
PIK3R1 P27986 12/20 0.47
PIK3CD O00329 1/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL2376765 0.86 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19611250 0.84 PIK3CA (0.52) PIK3CAPIK3R1PIK3CB
SCHEMBL2376610 0.82 PIK3CA (0.69) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19611202 0.80 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL12248080 0.78 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2377619 0.78 PIK3CA (0.70) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19611160 0.75 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19623578 0.74 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL19623668 0.73 PIK3CA (0.46) PIK3CAPIK3R1PIK3CDMTOR
SCHEMBL2378957 0.72 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB

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 disclosed