SCHEMBL8991249

SCHEMBL8991249

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.33
P2RY1 P47900 2/20 0.31
ENPP1 P22413 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
FLT3 P36888 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
SCHEMBL7699595 0.89 ADK (0.33) ADKP2RY1ENPP1EGFRSRC
SCHEMBL8991281 0.85 ENPP1 (0.39) ENPP1SRCFLT3
SCHEMBL8991337 0.82 ADORA2A (0.41) ADKEGFRSRC
SCHEMBL7699597 0.80 ADK (0.35) ADKP2RY1ENPP1FLT3
SCHEMBL8991262 0.80 ADK (0.35) ADKP2RY1ENPP1FLT3
SCHEMBL7701250 0.77 ACACB (0.33) ADKP2RY1EGFRSRC
SCHEMBL8991138 0.76 ABL1 (0.43)
SCHEMBL7700319 0.76 EGFR (0.32) ADKP2RY1EGFRSRC
SCHEMBL8991388 0.75 PDE4A (0.50) EGFRSRC
SCHEMBL8991063 0.74 GAA (0.41) EGFRSRC

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