SCHEMBL8097227

SCHEMBL8097227

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.43
KDR P35968 2/20 0.41
PIK3CA P42336 3/20 0.41
NAMPT P43490 2/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
LMNA P02545 1/20 0.38
ATR Q13535 1/20 0.37
EPHX2 P34913 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
SCHEMBL8105807 0.96 PIK3CD (0.42) PIK3CDKDRPIK3CANAMPTKIT
SCHEMBL8081823 0.96 PIK3CD (0.42) PIK3CDKDRPIK3CANAMPTKIT
SCHEMBL8099845 0.91 KDR (0.41) PIK3CDKDRPIK3CANAMPTKIT
SCHEMBL8090572 0.90 PIK3CD (0.41) PIK3CDKDRPIK3CANAMPTKIT
SCHEMBL8089874 0.89 PIK3CD (0.45) PIK3CDPIK3CAATR
SCHEMBL8099806 0.88 PIK3CD (0.41) PIK3CDPIK3CAATR
SCHEMBL8091758 0.87 PIK3CD (0.43) PIK3CDKDRPIK3CANAMPTEPHX2
SCHEMBL8099812 0.87 NAMPT (0.44) PIK3CDKDRPIK3CANAMPT
SCHEMBL8095579 0.87 PIK3CD (0.44) PIK3CDPIK3CAATR
SCHEMBL8098188 0.87 CA12 (0.44) PIK3CDPIK3CAATREPHX2

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