SCHEMBL8990936

SCHEMBL8990936

CCOCn1cc([Se]C(N)=O)c2c(NC)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
P2RY1 P47900 2/20 0.31
FLT3 P36888 2/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE3A Q14432 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
SCHEMBL8991262 0.88 ADK (0.35) ADKPDE4APDE4BPDE4CPDE4D
SCHEMBL8991346 0.86 PDE4A (0.40) ADKPDE4APDE4BPDE4CPDE4D
SCHEMBL7703239 0.85 SRC (0.38) ADKFLT3EGFRSRC
SCHEMBL7700322 0.80 ADK (0.33) ADKPDE4APDE4BPDE4CPDE4D
SCHEMBL8991397 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DFLT3
SCHEMBL8991078 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7700319 0.78 EGFR (0.32) ADKP2RY1EGFRSRCALDH1A1
SCHEMBL8990926 0.78 EGFR (0.32) ADKP2RY1EGFRSRC
SCHEMBL8991143 0.78 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8991176 0.78 XDH (0.31) PDE4APDE4BPDE4CPDE4D

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