SCHEMBL8991101

SCHEMBL8991101

Cc1cccc(Cn2cc(C(N)=[Se])c3c(N)ncnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.42
SRC P12931 4/20 0.42
ABL1 P00519 2/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.41
ADRA1D P25100 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RET P07949 1/20 0.40
LMNA P02545 1/20 0.40
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SLC2A1 P11166 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7695714 0.89 ADRA1D (0.51) RIPK2SRCABL1EIF2AK3ADRA1D
SCHEMBL7697684 0.89 ADRA1D (0.41) RIPK2SRCABL1EIF2AK3ADRA1D
SCHEMBL8991019 0.86 KDM4E (0.41) RIPK2SRCABL1EIF2AK3TP53
SCHEMBL8991292 0.86 ADORA2A (0.51) SRCABL1KDM4EHTTHSD17B10
SCHEMBL8991105 0.81 EIF2AK3 (0.42) RIPK2SRCABL1EIF2AK3ADRA1D
SCHEMBL7697687 0.80 RIPK1 (0.42) RIPK2SRCABL1EIF2AK3ADRA1D
SCHEMBL8991245 0.80 SRC (0.40) RIPK2SRCABL1EIF2AK3KDM4E
SCHEMBL8991269 0.79 PI4KA (0.39) SRCABL1KDM4EHTTHSD17B10
SCHEMBL8991089 0.79 EGFR (0.45) RIPK2SRCABL1KDREGFR
SCHEMBL7703250 0.79 CFD (0.42) RIPK2SRCABL1EIF2AK3KDM4E

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