SCHEMBL8090572

SCHEMBL8090572

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.41
PIK3CA P42336 3/20 0.41
KDR P35968 2/20 0.40
NAMPT P43490 2/20 0.38
LMNA P02545 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
EPHX2 P34913 1/20 0.36
CIT O14578 1/20 0.35

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
SCHEMBL8097227 0.90 PIK3CD (0.43) PIK3CDPIK3CAKDRNAMPTLMNA
SCHEMBL8099845 0.89 KDR (0.41) PIK3CDPIK3CAKDRNAMPTLMNA
SCHEMBL8096016 0.88 PIK3CD (0.43) PIK3CDPIK3CAKDRNAMPT
SCHEMBL8104038 0.88 CA12 (0.41) PIK3CDPIK3CAEPHX2
SCHEMBL8091995 0.86 PIK3CD (0.41) PIK3CDPIK3CAKDR
SCHEMBL8105807 0.86 PIK3CD (0.42) PIK3CDPIK3CAKDRNAMPTLMNA
SCHEMBL8081823 0.86 PIK3CD (0.42) PIK3CDPIK3CAKDRNAMPTLMNA
SCHEMBL8099812 0.85 NAMPT (0.44) PIK3CDPIK3CAKDRNAMPTCIT
SCHEMBL8091758 0.85 PIK3CD (0.43) PIK3CDPIK3CAKDRNAMPTEPHX2
SCHEMBL8091998 0.85 KIF11 (0.40) PIK3CDPIK3CA

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