SCHEMBL4564882

SCHEMBL4564882

NC(CCC=O)N1CCN(c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.39
PIK3CA P42336 8/20 0.34
PIK3CD O00329 7/20 0.34
PIK3R1 P27986 3/20 0.34
HTT P42858 1/20 0.34
PIK3CG P48736 2/20 0.33
AKT1 P31749 2/20 0.33

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
SCHEMBL4472229 0.79 PIK3CB (0.36) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4477321 0.79 PIK3CB (0.35) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4465034 0.78 PIK3CB (0.36) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4466571 0.78 PIK3CB (0.36) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4478719 0.78 PIK3CB (0.36) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4564983 0.77 PIK3CD (0.40) PIK3CBPIK3CAPIK3CDPIK3CGAKT1
SCHEMBL4564097 0.77 HTT (0.40) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4570039 0.76 AKT1 (0.37) PIK3CBPIK3CAPIK3CDPIK3R1HTT
SCHEMBL4564984 0.74 AKT1 (0.36) PIK3CBPIK3CAPIK3CDHTTPIK3CG
SCHEMBL4727861 0.71 PIK3CA (0.37) PIK3CBPIK3CAPIK3R1PIK3CG

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-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP claimed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed