SCHEMBL8090381

SCHEMBL8090381

CNC(=S)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCCO)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.42
PIK3CA P42336 6/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CB P42338 1/20 0.42
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL8092752 0.96 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8096245 0.90 PIK3CA (0.40) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090321 0.90 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8096240 0.89 PIK3CD (0.39) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090864 0.89 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091731 0.88 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091240 0.87 PIK3CA (0.39) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8093032 0.87 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8099604 0.86 PIK3CD (0.36) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8093437 0.86 PIK3CA (0.48) PIK3CDPIK3CAMTORPIK3CGPIK3CB

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