SCHEMBL8106629

SCHEMBL8106629

O=C(NCC(F)F)Nc1ccc(-c2nc(NCCO)cc(C3(S(=O)(=O)CCCO)CCC3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.34
PIK3CA P42336 9/20 0.34
MTOR P42345 5/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP1A2 P05177 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ABL1 P00519 1/20 0.32
NAMPT P43490 1/20 0.31
RAF1 P04049 1/20 0.30

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
SCHEMBL8100159 0.90 PIK3CA (0.36) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8106631 0.85 CYP1A2 (0.35) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091770 0.85 MTOR (0.37) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098280 0.83 RAB9A (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091352 0.81 PIK3CA (0.41) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL3936124 0.79 MTOR (0.57) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097652 0.79 PIK3CD (0.38) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098837 0.79 PIK3CA (0.40) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8100294 0.79 PIK3CD (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8093344 0.77 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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