SCHEMBL7699595

SCHEMBL7699595

CNc1ncnc2c1c(C(N)=S)cn2COCCOC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.33
P2RY1 P47900 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ENPP1 P22413 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
NPC1 O15118 1/20 0.30
GALR3 O60755 1/20 0.30
S1PR4 O95977 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30
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
SCHEMBL8991249 0.89 ADK (0.33) ADKP2RY1ENPP1EGFRSRC
SCHEMBL7700319 0.87 EGFR (0.32) ADKP2RY1EGFRSRCNPC1
SCHEMBL7700383 0.85 NPC1 (0.43) ENPP1SRCNPC1GALR3S1PR4
SCHEMBL8991365 0.82 ADORA2A (0.41) ADKEGFRSRCNPC1MAPT
SCHEMBL8991262 0.80 ADK (0.35) ADKP2RY1MKNK1MKNK2ENPP1
SCHEMBL7699597 0.80 ADK (0.35) ADKP2RY1MKNK1MKNK2ENPP1
SCHEMBL8991290 0.78 RET (0.33) NPC1RAB9A
SCHEMBL7701250 0.77 ACACB (0.33) ADKP2RY1EGFRSRCALDH1A1
SCHEMBL8991103 0.75 PDE4A (0.50) EGFRSRCNPC1ALDH1A1MAPT
SCHEMBL8991231 0.74 GAA (0.41) EGFRSRCNPC1GALR3ALDH1A1

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