SCHEMBL8991122

SCHEMBL8991122

CNc1ncnc2c1c(C(N)=S)c(N)n2Cc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
PDE5A O76074 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE1C Q14123 2/20 0.37
PDE3A Q14432 2/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 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
SCHEMBL8991296 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991480 0.88 KDM4E (0.44) MEN1KMT2AHTTTSHRKDM4E
SCHEMBL8990963 0.85 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8991134 0.83 GAA (0.42) PDE4APDE4BPDE4CPDE4DRPS6KB1
SCHEMBL8991221 0.81 MEN1 (0.39) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL8991129 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991300 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991348 0.79 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991094 0.79 MEN1 (0.37) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8991412 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed