SCHEMBL8219682

SCHEMBL8219682

C=C(CO)NC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)O)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
PIK3CA P42336 10/20 0.33
MTOR P42345 8/20 0.33
PIK3CG P48736 5/20 0.33
PTK2 Q05397 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 4/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
JAK2 O60674 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
SCHEMBL8211538 0.83 KIF11 (0.44) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL11924806 0.80 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8206742 0.79 EPHX1 (0.45) ALDH1A1CYP2C19KDR
SCHEMBL11926868 0.77 MEN1 (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8212691 0.69 MTOR (0.44) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL11926137 0.69 FPR2 (0.46) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8212549 0.69 MTOR (0.48) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8213413 0.69 PIK3CA (0.45) ALDH1A1KDM4EPIK3CAMTORPIK3CG
SCHEMBL8214220 0.68 PIK3CA (0.48) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8204669 0.68 KMT2A (0.45) MEN1ALDH1A1MAPTHPGDKMT2A

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed