SCHEMBL7700322

SCHEMBL7700322

CCOCn1cc(SC(N)=O)c2c(NC)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.33
XDH P47989 1/20 0.31
P2RY1 P47900 2/20 0.31
FLT3 P36888 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL7699597 0.88 ADK (0.35) ADKP2RY1FLT3
SCHEMBL8991378 0.86 ADORA2A (0.41) ADKEGFRSRCPDE4APDE4B
SCHEMBL7700982 0.85 FLT3 (0.37) ADKFLT3EGFRSRC
SCHEMBL8990936 0.80 ADK (0.33) ADKP2RY1FLT3EGFRSRC
SCHEMBL8991110 0.79 PDE4A (0.50) FLT3EGFRSRCPDE4APDE4B
SCHEMBL8991244 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7700319 0.78 EGFR (0.32) ADKP2RY1EGFRSRC
SCHEMBL8990926 0.78 EGFR (0.32) ADKP2RY1EGFRSRC
SCHEMBL8991012 0.78 XDH (0.33) XDHP2RY1
SCHEMBL8991419 0.77 PDE4A (0.40) EGFRSRCPDE4APDE4BPDE4C

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
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed