SCHEMBL8094419

SCHEMBL8094419

CNC(=O)Nc1ccc(-c2nc(N[C@@H](C)CO)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.38
PIK3CA P42336 4/20 0.38
MTOR P42345 3/20 0.38
PIK3CG P48736 1/20 0.38
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
P2RY12 Q9H244 1/20 0.36
PTGS2 P35354 1/20 0.35
PIK3CD O00329 2/20 0.34
KIF18A Q8NI77 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8094421 0.91 PIK3CA (0.38) CXCR2PIK3CAMTORPIK3CGFPR2
SCHEMBL8084462 0.90 FPR2 (0.37) CXCR2PIK3CAFPR2SCN9AMAPT
SCHEMBL8091932 0.89 FPR2 (0.40) CXCR2PIK3CAMTORPIK3CGFPR2
SCHEMBL8090843 0.85 PIK3CA (0.45) PIK3CAMTORPIK3CGFPR2SCN9A
SCHEMBL8097581 0.82 MAPT (0.38) PIK3CAMAPTKDM4EHTTPIK3CD
SCHEMBL8090246 0.82 PIK3CA (0.42) PIK3CAMTORPIK3CGMAPTKDM4E
SCHEMBL8098657 0.79 MAPT (0.37) PIK3CAMAPTKDM4EHTTPIK3CD
SCHEMBL8098658 0.79 MAPT (0.37) PIK3CAMAPTKDM4EHTTPIK3CD
SCHEMBL8096342 0.79 PIK3CA (0.41) PIK3CAMTORPIK3CGMAPTKDM4E
SCHEMBL8091933 0.78 FPR2 (0.39) PIK3CAMTORPIK3CGFPR2SCN9A

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