SCHEMBL8091933

SCHEMBL8091933

C[C@@H](CO)Nc1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccc(NC(=O)NCCF)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CD O00329 6/20 0.38
PIK3CA P42336 14/20 0.38
MTOR P42345 13/20 0.36
PIK3CG P48736 4/20 0.36
ATR Q13535 2/20 0.35
PIK3CB P42338 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
SCHEMBL8097098 0.90 PIK3CA (0.46) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8091932 0.89 FPR2 (0.40) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8091538 0.83 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CGATR
SCHEMBL8094421 0.83 PIK3CA (0.38) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8094369 0.80 PIK3CD (0.44) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8084462 0.80 FPR2 (0.37) FPR2SCN9APIK3CDPIK3CA
SCHEMBL8097557 0.79 PIK3CD (0.45) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8090843 0.79 PIK3CA (0.45) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8094419 0.78 CXCR2 (0.38) FPR2SCN9APIK3CDPIK3CAMTOR
SCHEMBL8097177 0.77 PIK3CD (0.39) PIK3CDPIK3CAMTORPIK3CGATR

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