SCHEMBL8091932

SCHEMBL8091932

CNC(=O)Nc1ccc(-c2nc(N[C@@H](C)CO)cc(C3(S(C)(=O)=O)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40
PIK3CA P42336 9/20 0.38
MTOR P42345 8/20 0.38
PIK3CG P48736 2/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
PIK3CD O00329 8/20 0.37
ATR Q13535 1/20 0.36
PIK3CB P42338 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL8090843 0.89 PIK3CA (0.45) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8094419 0.89 CXCR2 (0.38) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8091933 0.89 FPR2 (0.39) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8097177 0.80 PIK3CD (0.39) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8097448 0.80 PIK3CA (0.43) PIK3CAMTORPIK3CGPIP4K2APIP4K2B
SCHEMBL8094421 0.80 PIK3CA (0.38) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8094369 0.79 PIK3CD (0.44) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8097098 0.79 PIK3CA (0.46) FPR2SCN9APIK3CAMTORPIK3CG
SCHEMBL8084462 0.78 FPR2 (0.37) FPR2SCN9APIK3CAPIK3CDCXCR2
SCHEMBL11926125 0.77 PIK3CA (0.42) FPR2SCN9APIK3CAMTORPIK3CG

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