SCHEMBL8091865

SCHEMBL8091865

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(C)(=O)=O)CCCC3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
ATM Q13315 6/20 0.35
EPHX2 P34913 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL8083749 0.91 EPHX2 (0.37) MAPK1PIK3CAMTOREPHX2PIK3CD
SCHEMBL8097397 0.89 PIK3CA (0.48) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8089929 0.87 PIK3CA (0.48) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8083867 0.81 PIK3CA (0.52) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL3927521 0.81 PIK3CA (0.60) PIK3CAMTORATMPIK3CDPIK3CB
SCHEMBL8090668 0.80 PIK3CA (0.35) MAPK1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL8099345 0.79 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CGKDR
SCHEMBL8083676 0.79 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8099450 0.77 PIK3CA (0.46) PIK3CAMTORATMPIK3CDPIK3CB
SCHEMBL8083702 0.77 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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