SCHEMBL8097448

SCHEMBL8097448

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.43
MTOR P42345 5/20 0.43
PIK3CG P48736 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
PIK3CD O00329 8/20 0.41
ATR Q13535 3/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8098293 0.96 PIK3CA (0.42) PIK3CAMTORPIK3CGPIP4K2APIP4K2B
SCHEMBL8097556 0.96 PIK3CA (0.42) PIK3CAMTORPIK3CGPIP4K2APIP4K2B
SCHEMBL8092043 0.93 MTOR (0.49) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8090739 0.93 PIK3CA (0.40) PIK3CAMTORPIK3CGPIP4K2APIP4K2B
SCHEMBL8091635 0.90 ATR (0.47) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8083616 0.89 ATR (0.42) PIK3CAMTORPIK3CDATRKMT2A
SCHEMBL8098188 0.89 CA12 (0.44) PIK3CAMTORPIK3CDATRKMT2A
SCHEMBL8089874 0.89 PIK3CD (0.45) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8095579 0.87 PIK3CD (0.44) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL8090246 0.87 PIK3CA (0.42) PIK3CAMTORPIK3CGPIP4K2APIP4K2B

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