SCHEMBL6630358

SCHEMBL6630358

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc(I)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
DPP4 P27487 2/20 0.38
ADORA2B P29275 1/20 0.38
PDE2A O00408 2/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
B3GNT2 Q9NY97 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 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
SCHEMBL5403125 0.91 MAPK10 (0.41) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5398457 0.86 HIF1A (0.43) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5407645 0.83 SLC16A1 (0.47) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5407969 0.83 SLC22A12 (0.46) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5404206 0.83 MEN1 (0.42) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5398859 0.81 SLC16A1 (0.45)
SCHEMBL5400132 0.81 MAPK8 (0.44) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5393473 0.81 KMT2A (0.40) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5407705 0.81 DPP4 (0.40) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5417969 0.80 MEN1 (0.39) MEN1KMT2APDE1APDE1BPDE1C

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