SCHEMBL8088889

SCHEMBL8088889

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.44
PIK3CA P42336 8/20 0.42
MTOR P42345 3/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KIT P10721 1/20 0.38
NAMPT P43490 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
GHSR Q92847 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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 0.98 PIK3CD (0.44) PIK3CDPIK3CAMTORKDRMEN1
SCHEMBL8092989 0.93 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGRAB9A
SCHEMBL8083631 0.91 PIK3CD (0.41) PIK3CDPIK3CAMTORKDRMEN1
SCHEMBL8083676 0.91 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGRAB9A
SCHEMBL8089929 0.90 PIK3CA (0.48) PIK3CDPIK3CAMTORKDRNAMPT
SCHEMBL8083702 0.89 PIK3CD (0.41) PIK3CDPIK3CAMTORKDRMEN1
SCHEMBL8095579 0.89 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8093344 0.88 PIK3CD (0.40) PIK3CDPIK3CAMTORKDRMEN1
SCHEMBL8097397 0.88 PIK3CA (0.48) PIK3CDPIK3CAMTORKDRNAMPT
SCHEMBL8081823 0.88 PIK3CD (0.42) PIK3CDPIK3CAKDRKITNAMPT

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