SCHEMBL8991228

SCHEMBL8991228

CNc1ncnc2c1c(SC(N)=O)c(N)n2COCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
EGFR P00533 4/20 0.36
SRC P12931 1/20 0.36
HSPA5 P11021 1/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ERBB2 P04626 3/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL7700291 0.88 KDM4E (0.41) EGFRSRCKDM4ETSHRMAPK1
SCHEMBL8990972 0.87 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991012 0.86 XDH (0.33) RET
SCHEMBL8991298 0.83 RET (0.33) RET
SCHEMBL8991354 0.81 EGFR (0.38) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991214 0.81 EGFR (0.38) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991378 0.80 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991238 0.79 AURKA (0.40) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991129 0.78 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991147 0.78 GAA (0.39) PDE4APDE4BPDE4CPDE4DMEN1

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