SCHEMBL8093344

SCHEMBL8093344

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.40
PIK3CA P42336 8/20 0.38
MTOR P42345 3/20 0.38
KDR P35968 3/20 0.38
PIK3CG P48736 2/20 0.35
PIK3CB P42338 1/20 0.35
RXRA P19793 1/20 0.35
KIT P10721 1/20 0.35
JAK1 P23458 1/20 0.35
PDGFRB P09619 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL8097652 0.94 PIK3CD (0.38) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8091352 0.94 PIK3CA (0.41) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8082001 0.91 PIK3CD (0.42) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8093656 0.91 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091240 0.90 PIK3CA (0.39) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8088889 0.88 PIK3CD (0.44) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8090864 0.87 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8083631 0.87 PIK3CD (0.41) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8099345 0.87 PIK3CD (0.44) PIK3CDPIK3CAMTORKDRPIK3CG
SCHEMBL8096245 0.86 PIK3CA (0.40) PIK3CDPIK3CAMTORKDRPIK3CG

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