SCHEMBL14436809

SCHEMBL14436809

CCC1=NN(CCNC(=O)Nc2cn3nc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)NN1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.64
PIK3CD O00329 2/20 0.45
PIK3CG P48736 2/20 0.45
PIK3CB P42338 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
RIPK1 Q13546 13/20 0.43

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
SCHEMBL14436810 0.91 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3142727 0.80 PIK3CA (0.81) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3137681 0.79 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3141350 0.79 PIK3CA (0.78) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL14436382 0.79 PIK3CA (0.78) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL13415565 0.77 PIK3CA (0.45) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL14436806 0.77 PIK3CA (0.79) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3137710 0.77 PIK3CA (0.79) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3150768 0.77 PIK3CA (0.72) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL3140996 0.76 PIK3CA (0.74) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3

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
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed