SCHEMBL8083655

SCHEMBL8083655

CCCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccncc4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.43
PIK3CD O00329 6/20 0.41
PIK3CA P42336 2/20 0.40
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8090241 0.92 NAMPT (0.43) NAMPTPIK3CDPIK3CA
SCHEMBL8092385 0.92 PIK3CD (0.41) NAMPTPIK3CDPIK3CAKDRMEN1
SCHEMBL8099408 0.90 CA2 (0.42) NAMPTPIK3CDPIK3CAMEN1KMT2A
SCHEMBL8099744 0.90 NAMPT (0.40) NAMPTPIK3CDPIK3CAKDR
SCHEMBL8089000 0.89 PIK3CD (0.40) NAMPTPIK3CDPIK3CAKDRMEN1
SCHEMBL8099812 0.89 NAMPT (0.44) NAMPTPIK3CDPIK3CAKDR
SCHEMBL8099749 0.88 MTOR (0.40) NAMPTPIK3CDPIK3CAKMT2A
SCHEMBL8092850 0.86 CA12 (0.42) NAMPTPIK3CDPIK3CA
SCHEMBL8091924 0.85 NAMPT (0.39) NAMPTPIK3CDPIK3CAKDR
SCHEMBL8090868 0.85 MTOR (0.38) NAMPTPIK3CDPIK3CAMEN1KMT2A

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