SCHEMBL8081823

SCHEMBL8081823

CC(C)CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(C)(=O)=O)CCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.42
KDR P35968 2/20 0.40
PIK3CA P42336 3/20 0.40
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
NAMPT P43490 2/20 0.38
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
CIT O14578 1/20 0.36

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 0.98 PIK3CD (0.42) PIK3CDKDRPIK3CAKITPDGFRA
SCHEMBL8097227 0.96 PIK3CD (0.43) PIK3CDKDRPIK3CAKITPDGFRA
SCHEMBL8097252 0.89 CA12 (0.43) PIK3CDPIK3CAEPHX2
SCHEMBL8088889 0.88 PIK3CD (0.44) PIK3CDKDRPIK3CAKITNAMPT
SCHEMBL8099845 0.88 KDR (0.41) PIK3CDKDRPIK3CAKITPDGFRA
SCHEMBL8092989 0.88 PIK3CA (0.46) PIK3CDPIK3CA
SCHEMBL8091781 0.87 CA12 (0.43) PIK3CDPIK3CAEPHX2
SCHEMBL8097556 0.86 PIK3CA (0.42) PIK3CDPIK3CA
SCHEMBL8090572 0.86 PIK3CD (0.41) PIK3CDKDRPIK3CAKITPDGFRA
SCHEMBL8083631 0.86 PIK3CD (0.41) PIK3CDKDRPIK3CA

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