SCHEMBL4780939

SCHEMBL4780939

O=C(CNC(=O)[C@@H]1CCCN1)Nc1ccc(-c2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.56
PIK3CD O00329 14/20 0.56
PIK3CA P42336 13/20 0.56
PIK3CG P48736 12/20 0.56

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 0.95 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4264283 0.88 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4534245 0.87 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4264279 0.87 PIK3CB (0.43) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL3987144 0.85 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4842864 0.84 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4728818 0.83 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4607302 0.83 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL3589159 0.81 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4730280 0.80 JAK2 (0.43) PIK3CBPIK3CDPIK3CAPIK3CG

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-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed