SCHEMBL4566725

SCHEMBL4566725

Fc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCC(n5cccc5)CC4)cc3n2)c2cc[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.67
CYP3A4 P08684 2/20 0.67
PIK3CA P42336 14/20 0.64
PIK3CB P42338 14/20 0.64
PIK3CG P48736 13/20 0.64
PIK3R1 P27986 1/20 0.58

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
SCHEMBL994877 0.90 PIK3CD (0.68) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2460793 0.90 PIK3CD (0.68) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2465994 0.89 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL995560 0.89 PIK3CD (0.72) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3622151 0.88 PIK3CD (0.75) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3618482 0.88 PIK3CD (0.71) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL994905 0.88 PIK3CD (0.69) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2432968 0.87 PIK3CD (0.70) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3622849 0.87 PIK3CD (0.81) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2466438 0.87 PIK3CD (0.76) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

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-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO claimed