SCHEMBL6632698

SCHEMBL6632698

CCC=C(Cn1nc2c(c1-c1ccc(C(=O)O)o1)c(=O)n(C)c(=O)n2CC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.42
PDE1B Q01064 4/20 0.42
PDE1C Q14123 4/20 0.42
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6632690 1.00 PDE1A (0.42) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5404321 0.86 PDE1A (0.36) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5411358 0.81 PDE1A (0.40) PDE1APDE1BPDE1CPDE2ALMNA
SCHEMBL5411362 0.81 PDE1A (0.40) PDE1APDE1BPDE1CPDE2ALMNA
SCHEMBL5407580 0.81 PDE1A (0.41) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5407590 0.81 PDE1A (0.41) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5397647 0.80 PDE1A (0.36) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5397654 0.80 PDE1A (0.36) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL5407992 0.80 TP53 (0.42) PDE1APDE1BPDE1CLMNAALDH1A1
SCHEMBL5403918 0.80 PDE1A (0.39) PDE1APDE1BPDE1CMEN1KMT2A

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