SCHEMBL927196

SCHEMBL927196

Nc1nc(N2CCOCC2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.87
PIK3CA P42336 7/20 0.52
PIK3CD O00329 3/20 0.52
PIK3CG P48736 3/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
PIK3R1 P27986 4/20 0.49
MTOR P42345 4/20 0.49
PIK3C2B O00750 1/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
LCK P06239 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6629606 0.93 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6625427 0.93 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL3594472 0.88 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6626404 0.87 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL20078072 0.87 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6623601 0.86 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6627240 0.86 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6626263 0.86 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL6625463 0.86 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL6625296 0.85 PIK3CB (0.83) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed