SCHEMBL6677202

SCHEMBL6677202

Cn1c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc2n(Cc2cccc(S(C)(=O)=O)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ADORA2B P29275 1/20 0.36
ALOX5AP P20292 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 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
SCHEMBL5398394 0.91 MEN1 (0.52) MEN1KMT2ADPP4HPGDADORA2B
SCHEMBL5418106 0.89 MAPT (0.47) MEN1KMT2ADPP4HPGDADORA2B
SCHEMBL5398717 0.89 MEN1 (0.45) MEN1KMT2ADPP4MAPT
SCHEMBL5415311 0.87 KMT2A (0.43) MEN1KMT2ADPP4HPGDADORA2B
SCHEMBL5411110 0.87 MEN1 (0.47) MEN1KMT2ADPP4HPGDADORA2B
SCHEMBL5410909 0.87 MEN1 (0.47) MEN1KMT2ADPP4
SCHEMBL5405482 0.87 MEN1 (0.44) MEN1KMT2ADPP4SLC16A3SLC16A1
SCHEMBL5402322 0.86 MEN1 (0.45) MEN1KMT2A
SCHEMBL5407553 0.86 MEN1 (0.41) MEN1KMT2AADORA2BMAPT
SCHEMBL5404381 0.86 MEN1 (0.42) MEN1KMT2ASLC16A1HPGDADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed