SCHEMBL7989882

SCHEMBL7989882

S=c1[nH]c(=S)n(Cc2ccccc2)c2nc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.60
MPO P05164 2/20 0.59
TPO P07202 2/20 0.59
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
KMT2A Q03164 3/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 2/20 0.47
ACP1 P24666 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL9031047 0.87 PNP (0.75) PNPMPOTPOADORA3ADORA2B
SCHEMBL8000339 0.77 ADORA2A (0.54) MPOTPOADORA3ADORA2BPDE4A
SCHEMBL7682667 0.77 PNP (0.60) PNPMPOTPOADORA3ADORA2B
SCHEMBL9032111 0.75 PNP (1.00) PNPMPOTPOADORA3ADORA2B
SCHEMBL8002258 0.75 PDE4A (0.56) ADORA3ADORA2BPDE4APDE4BPDE4C
SCHEMBL1460860 0.74 MPO (1.00) PNPMPOTPOADORA3ADORA2B
SCHEMBL2286250 0.74 MPO (0.77) PNPMPOTPOADORA3ADORA2B
SCHEMBL1460888 0.74 ADORA2A (0.55) MPOTPOADORA3ADORA2BKMT2A
SCHEMBL1461128 0.73 PNP (0.62) PNPMPOTPOADORA3ADORA2B
SCHEMBL1388113 0.73 APOBEC3G (0.43) PNPKMT2AKDM4EPOLBAPOBEC3G

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