SCHEMBL13848009

SCHEMBL13848009

Cc1c(Nc2cccc(S(C)(=O)=O)c2)nc(N2CCOCC2)nc1-c1cnc(N)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.52
MTOR P42345 4/20 0.51
PIK3CA P42336 12/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CD O00329 1/20 0.48
PIK3C2B O00750 1/20 0.48
PIK3CG P48736 1/20 0.48
PIK3R1 P27986 6/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
BRD4 O60885 1/20 0.46
AKT1 P31749 3/20 0.45
CAMK1D Q8IU85 1/20 0.45

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
SCHEMBL10328308 0.87 MTOR (0.60) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL13848004 0.83 PIK3CA (0.70) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL12091756 0.81 PIK3CA (0.55) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL10327879 0.80 PIK3CA (0.57) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL10327901 0.80 PIK3CA (0.68) PIK3CA
SCHEMBL10327679 0.79 PIK3CA (0.48) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL3994331 0.78 PIK3CA (0.58) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL10327749 0.78 PIK3CA (0.65) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL10328006 0.77 PIK3CA (0.68) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4113962 0.77 PIK3CA (0.50) MTORPIK3CAPIK3CBPIK3CDPIK3C2B

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-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO disclosed