SCHEMBL7701709

SCHEMBL7701709

CCOCn1c(N)c(SC(N)=O)c2c(N)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.36
SRC P12931 3/20 0.34
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
ADK P55263 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
HCK P08631 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL8991012 0.87 XDH (0.33) RET
SCHEMBL7703321 0.87 RET (0.38) RETRPS6KA3
SCHEMBL7700291 0.83 KDM4E (0.41) RETSRCEGFRKDRKDM4E
SCHEMBL8991135 0.79 KDM4E (0.35) RETSRCEGFRKDRADK
SCHEMBL8991124 0.77 PI4KB (0.35) RETSRCEGFRKDRADK
SCHEMBL7701707 0.77 SRC (0.36) RETSRCEGFRKDRKDM4E
SCHEMBL8991022 0.77 KDM4E (0.44) RETSRCEGFRKDRKDM4E
SCHEMBL7700982 0.76 FLT3 (0.37) RETSRCEGFRKDRADK
SCHEMBL8991429 0.76 MAPK1 (0.54) SRCEGFRKDRKDM4ETSHR
SCHEMBL8991298 0.76 RET (0.33) RETKDR

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