SCHEMBL7744345

SCHEMBL7744345

Nc1nc(Cl)nc2c1ncn2Cc1cccc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 9/20 0.57
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
YTHDC1 Q96MU7 8/20 0.54
ADORA2A P29274 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL2060472 0.86 PDE4A (0.67) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL3919969 0.85 YTHDC1 (0.70) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL4236128 0.83 YTHDC1 (0.71) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL4172230 0.82 PDE4A (0.64) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL5466476 0.81 YTHDC1 (0.55) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL448640 0.81 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL17144109 0.81 ADORA2A (0.60) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL13596787 0.80 PDE8A (0.62) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL4470318 0.79 PDE8A (0.58) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL2060052 0.78 YTHDC1 (0.57) PDE8APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed