SCHEMBL8991105

SCHEMBL8991105

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.42
ADRA1D P25100 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RIPK1 Q13546 1/20 0.40
FLT3 P36888 1/20 0.39
RET P07949 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.39
RIPK2 O43353 1/20 0.39
LMNA P02545 1/20 0.39
AURKA O14965 1/20 0.39
IKBKE Q14164 1/20 0.39
AURKB Q96GD4 1/20 0.39
SRC P12931 2/20 0.38
ABL1 P00519 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
SCHEMBL8991031 0.88 KDM4E (0.41) EIF2AK3TP53MAPTFLT3RET
SCHEMBL8991302 0.87 ADORA2A (0.49) FLT3RETKDM4ETSHRMAPK1
SCHEMBL7695714 0.85 ADRA1D (0.51) EIF2AK3ADRA1DTP53MAPTRIPK1
SCHEMBL7697687 0.82 RIPK1 (0.42) EIF2AK3ADRA1DTP53MAPTRIPK1
SCHEMBL8991256 0.82 KDM4E (0.40) EIF2AK3FLT3RETKDM4ETSHR
SCHEMBL8991275 0.81 FLT3 (0.43) FLT3RETKDM4ETSHRMAPK1
SCHEMBL8991101 0.81 RIPK2 (0.42) EIF2AK3ADRA1DTP53MAPTRIPK1
SCHEMBL7697684 0.81 ADRA1D (0.41) EIF2AK3ADRA1DTP53MAPTRIPK1
SCHEMBL8991162 0.79 KDM4E (0.46) EIF2AK3RIPK1KDM4ETSHRMAPK1
SCHEMBL7703250 0.77 CFD (0.42) EIF2AK3RIPK1RETKDM4ETSHR

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