SCHEMBL7703239

SCHEMBL7703239

CCOCn1cc([Se]C(N)=O)c2c(N)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.38
KDR P35968 2/20 0.38
EGFR P00533 1/20 0.38
FLT3 P36888 4/20 0.37
ADK P55263 2/20 0.36
LCK P06239 3/20 0.35
TEK Q02763 2/20 0.35
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PHKG2 P15735 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MARK3 P27448 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
CSNK1G2 P78368 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
SCHEMBL8991287 0.87 FLT3 (0.40) SRCFLT3LCKTEKRET
SCHEMBL8990936 0.85 ADK (0.33) SRCEGFRFLT3ADK
SCHEMBL7700982 0.79 FLT3 (0.37) SRCKDREGFRFLT3ADK
SCHEMBL8991302 0.77 ADORA2A (0.49) SRCKDREGFRFLT3LCK
SCHEMBL8991031 0.77 KDM4E (0.41) SRCKDREGFRFLT3LCK
SCHEMBL7700980 0.77 NPC1 (0.45) SRCKDREGFRFLT3ADK
SCHEMBL7703236 0.77 ADK (0.38) SRCKDREGFRFLT3ADK
SCHEMBL8991135 0.76 KDM4E (0.35) SRCKDREGFRFLT3ADK
SCHEMBL8991256 0.75 KDM4E (0.40) SRCKDREGFRFLT3RET
SCHEMBL8991275 0.74 FLT3 (0.43) SRCFLT3RETADORA2API4KA

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