SCHEMBL8991298

SCHEMBL8991298

CNc1ncnc2c1c(SC(N)=O)c(N)n2COCCOC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 0.33
P2RY1 P47900 2/20 0.32
ENPP1 P22413 1/20 0.31
KDR P35968 2/20 0.31
TLR7 Q9NYK1 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
SCHEMBL8991012 0.88 XDH (0.33) RETP2RY1
SCHEMBL7703321 0.88 RET (0.38) RETENPP1
SCHEMBL8991228 0.83 PDE4A (0.37) RET
SCHEMBL8991178 0.81 RET (0.31) RETP2RY1KDRTLR7
SCHEMBL8991290 0.80 RET (0.33) RETKDR
SCHEMBL8991170 0.80 RET (0.31) RETKDR
SCHEMBL7699597 0.79 ADK (0.35) RETP2RY1ENPP1
SCHEMBL8991328 0.78 ALDH1A1 (0.44)
SCHEMBL8990972 0.77 MEN1 (0.46) TLR7
SCHEMBL8991164 0.76 LRRK2 (0.40) RET

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