SCHEMBL4730672

SCHEMBL4730672

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(-c2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.51
PIK3CA P42336 14/20 0.45
PIK3CD O00329 11/20 0.45
PIK3CG P48736 9/20 0.45
PIK3R1 P27986 2/20 0.43
AKT1 P31749 1/20 0.43
MTOR P42345 3/20 0.42
PIK3C2B O00750 1/20 0.41

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
SCHEMBL4727014 0.85 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4535546 0.81 PIK3CB (0.47) PIK3CBPIK3CAAKT1MTOR
SCHEMBL4524096 0.81 PIK3CB (0.68) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4523237 0.80 PIK3CD (0.45) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL10125673 0.79 PIK3CB (0.53) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL16308204 0.78 PIK3CB (0.52) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4780048 0.78 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4462056 0.77 PIK3CB (0.56) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL3586878 0.77 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4535561 0.77 PIK3CB (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032077-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed