SCHEMBL8089929

SCHEMBL8089929

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(C)(=O)=O)CCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
PIK3CG P48736 1/20 0.42
ATM Q13315 9/20 0.42
PIK3CD O00329 2/20 0.41
KDR P35968 2/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8097397 0.98 PIK3CA (0.48) PIK3CAMTORPIK3CGATMPIK3CD
SCHEMBL8083867 0.92 PIK3CA (0.52) PIK3CAMTORPIK3CGATMPIK3CD
SCHEMBL8088889 0.90 PIK3CD (0.44) PIK3CAMTORPIK3CGPIK3CDKDR
SCHEMBL8092989 0.90 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8099450 0.90 PIK3CA (0.46) PIK3CAMTORPIK3CGATMPIK3CD
SCHEMBL8083631 0.88 PIK3CD (0.41) PIK3CAMTORPIK3CGPIK3CDKDR
SCHEMBL8083676 0.88 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8099345 0.88 PIK3CD (0.44) PIK3CAMTORPIK3CGPIK3CDKDR
SCHEMBL8091865 0.87 MAPK1 (0.42) PIK3CAMTORPIK3CGATMPIK3CD
SCHEMBL8083702 0.86 PIK3CD (0.41) PIK3CAMTORPIK3CGPIK3CDKDR

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