SCHEMBL931986

SCHEMBL931986

CNc1nc(N2CCOCC2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.81
PDE4A P27815 1/20 0.53
PIK3CD O00329 4/20 0.52
PIK3CA P42336 4/20 0.52
PIK3CG P48736 4/20 0.52
LCK P06239 2/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3C2B O00750 1/20 0.46
PIK3R1 P27986 1/20 0.46
MTOR P42345 1/20 0.46
TTK P33981 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 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 0.90 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625427 0.90 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL20078072 0.86 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6627240 0.85 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL3594472 0.85 PIK3CB (0.90) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL927196 0.84 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6626404 0.84 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6623601 0.83 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6626263 0.83 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625463 0.83 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGLCK

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