SCHEMBL8090804

SCHEMBL8090804

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4nc(C)cs4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.37
PIK3CA P42336 7/20 0.37
PIK3CG P48736 2/20 0.37
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIK3CD O00329 5/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL8089088 0.89 PIK3CA (0.40) MTORPIK3CAPIK3CGPIK3CDRAB9A
SCHEMBL8098772 0.89 PIK3CD (0.39) MTORPIK3CAPIK3CGPIK3CDRAB9A
SCHEMBL8089090 0.88 KDR (0.39) MTORPIK3CAPOLBRAB9AKMT2A
SCHEMBL8096194 0.88 KDM4E (0.39) MTORPIK3CAPIK3CGPIK3CDPOLB
SCHEMBL8096192 0.88 PIK3CD (0.36) MTORPIK3CAPIK3CGPIK3CDPOLB
SCHEMBL8084738 0.87 PIK3CA (0.40) MTORPIK3CARAB9AKMT2AKDR
SCHEMBL8082082 0.87 PIK3CA (0.38) MTORPIK3CARAB9AKMT2AKDR
SCHEMBL8085149 0.86 PIK3CA (0.39) MTORPIK3CAPIK3CGPIK3CDRAB9A
SCHEMBL8095459 0.86 MTOR (0.37) MTORPIK3CAPIK3CGPIP4K2APIP4K2B
SCHEMBL8091977 0.84 PIK3CD (0.35) PIK3CAPIK3CDPOLBRAB9A

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