SCHEMBL8000339

SCHEMBL8000339

CCn1c(=S)[nH]c(=S)c2[nH]cnc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.54
PDE4A P27815 11/20 0.54
PDE4B Q07343 11/20 0.54
PDE4C Q08493 11/20 0.54
PDE4D Q08499 11/20 0.54
ADORA2B P29275 8/20 0.51
MPO P05164 3/20 0.45
TPO P07202 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
HPGD P15428 1/20 0.44
ADORA1 P30542 1/20 0.44
BLM P54132 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8002258 0.87 PDE4A (0.56) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7990332 0.84 PDE4A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9069127 0.84 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1460888 0.83 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8005197 0.82 ADORA2B (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7998620 0.82 ADORA2A (0.42) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8396841 0.78 MPO (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7989882 0.77 PNP (0.60) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL8124420 0.75 PDE4A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8398142 0.75 MPO (0.52) ADORA2APDE4APDE4BPDE4CPDE4D

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
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US claimed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0916672-A1 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates Euroceltique S.A. (LU) 1999-05-19 EP disclosed