SCHEMBL4264279

SCHEMBL4264279

CC(F)(F)c1nc2ccccc2n1-c1nc(-c2ccc(NC(=O)CNC(=O)[C@@H]3CCCN3)cc2)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.43
PIK3CA P42336 10/20 0.43
PIK3CD O00329 9/20 0.43
PIK3CG P48736 8/20 0.43
MOK Q9UQ07 3/20 0.42
JAK2 O60674 2/20 0.42
PDGFRB P09619 2/20 0.42
FLT3 P36888 2/20 0.42
IKBKB O14920 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
RPS6KB1 P23443 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
MAP3K9 P80192 1/20 0.42
PLK4 O00444 1/20 0.42

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
SCHEMBL4527427 0.90 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL4264283 0.88 PIK3CB (0.47) PIK3CBPIK3CAPIK3CDPIK3CGMOK
SCHEMBL4780939 0.87 PIK3CB (0.56) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL4534245 0.82 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDPIK3CGJAK2
SCHEMBL4535546 0.82 PIK3CB (0.47) PIK3CBPIK3CAMOKMTOR
SCHEMBL3987144 0.80 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL4103054 0.79 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGMOK
SCHEMBL4277070 0.76 PIK3CA (0.46) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL3987588 0.76 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL4533712 0.75 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGMTOR

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-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP claimed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed