SCHEMBL8991262

SCHEMBL8991262

CNc1ncnc2c1c([Se]C(N)=O)cn2COCCOC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.35
FLT3 P36888 2/20 0.33
P2RY1 P47900 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ENPP1 P22413 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
BTK Q06187 1/20 0.31
AURKA O14965 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL8990936 0.88 ADK (0.33) ADKFLT3P2RY1PDE4APDE4B
SCHEMBL8991287 0.86 FLT3 (0.40) FLT3ENPP1
SCHEMBL8991346 0.84 PDE4A (0.40) ADKPDE4APDE4BPDE4CPDE4D
SCHEMBL7699597 0.81 ADK (0.35) ADKFLT3P2RY1MKNK1MKNK2
SCHEMBL7699595 0.80 ADK (0.33) ADKFLT3P2RY1MKNK1MKNK2
SCHEMBL8991249 0.80 ADK (0.33) ADKFLT3P2RY1ENPP1
SCHEMBL8991178 0.79 RET (0.31) FLT3P2RY1AURKARPS6KB1
SCHEMBL8991143 0.78 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL8991397 0.78 PDE4A (0.51) FLT3PDE4APDE4BPDE4CPDE4D
SCHEMBL8991078 0.76 PDE4A (0.42) 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