SCHEMBL5411276

SCHEMBL5411276

CC(C)Cn1c(=O)n(Cc2cccnc2)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.41
NPBWR1 P48145 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.36
MAPK10 P53779 1/20 0.36
PDE5A O76074 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5395453 0.93 SLC16A1 (0.44) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5408067 0.86 SLC16A1 (0.41) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5402814 0.86 SLC16A1 (0.44) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5395371 0.86 SLC16A1 (0.52) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5409782 0.85 SLC16A1 (0.41) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5397712 0.83 SLC16A1 (0.49) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5405296 0.83 SLC16A1 (0.42) SLC16A1NPBWR1ALDH1A1PDE5APDE3B
SCHEMBL5404441 0.83 SLC16A1 (0.42) SLC16A1ALDH1A1PDE5APDE3BPDE3A
SCHEMBL5400442 0.82 ALDH1A1 (0.44) SLC16A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5399687 0.82 SLC16A1 (0.39) SLC16A1NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
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