SCHEMBL8089527

SCHEMBL8089527

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCC(=N)N)cc3)n2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.41
PIK3CA P42336 12/20 0.41
MTOR P42345 4/20 0.35
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 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
SCHEMBL8099345 0.87 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8083676 0.87 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8093006 0.87 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CGF2
SCHEMBL8105807 0.86 PIK3CD (0.42) PIK3CDPIK3CA
SCHEMBL8100085 0.86 NAMPT (0.38) PIK3CDPIK3CAF2F7
SCHEMBL8098293 0.86 PIK3CA (0.42) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL8083011 0.85 ATR (0.39) PIK3CDPIK3CAMTORATR
SCHEMBL8083702 0.85 PIK3CD (0.41) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8088889 0.85 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8092989 0.85 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed