SCHEMBL8096233

SCHEMBL8096233

CC(C)(CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.40
PIK3CA P42336 4/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
RORC P51449 1/20 0.35
NAMPT P43490 1/20 0.35
GHSR Q92847 2/20 0.35
ATR Q13535 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
SCHEMBL8082658 0.97 PIK3CD (0.39) PIK3CDPIK3CAPOLBMAPTKDM4E
SCHEMBL8098248 0.92 PIK3CD (0.39) PIK3CDPIK3CAPOLBNAMPT
SCHEMBL8095724 0.92 PIK3CA (0.39) PIK3CDPIK3CAPOLBALDH1A1NAMPT
SCHEMBL8100131 0.91 PIK3CD (0.42) PIK3CDPIK3CAPOLBMAPTKDM4E
SCHEMBL8089920 0.90 PIK3CD (0.39) PIK3CDPIK3CAPOLBNAMPT
SCHEMBL8093158 0.88 PIK3CA (0.38) PIK3CDPIK3CAPOLBALDH1A1RORC
SCHEMBL8098805 0.88 PIK3CD (0.36) PIK3CDPIK3CAPOLBMAPTKDM4E
SCHEMBL8090187 0.88 PIK3CD (0.42) PIK3CDPIK3CAPOLBATR
SCHEMBL8096026 0.88 POLB (0.40) PIK3CDPIK3CAPOLBMAPTKDM4E
SCHEMBL8090246 0.86 PIK3CA (0.42) PIK3CDPIK3CAMAPTKDM4EHTT

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