SCHEMBL7700288

SCHEMBL7700288

NC(=S)c1c(N)n(COCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
SRC P12931 5/20 0.42
ABL1 P00519 5/20 0.42
EGFR P00533 5/20 0.42
ABL2 P42684 4/20 0.42
CDK1 P06493 2/20 0.42
KDR P35968 1/20 0.42
RET P07949 4/20 0.39
FYN P06241 1/20 0.37
LYN P07948 1/20 0.37
BLK P51451 1/20 0.37

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
SCHEMBL8990961 0.89 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991214 0.87 EGFR (0.38) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991414 0.84 KDM4E (0.57) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7701707 0.82 SRC (0.36) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8990968 0.80 KDM4E (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7700291 0.79 KDM4E (0.41) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7703318 0.79 RET (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7701083 0.78 LRRK2 (0.52) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7699497 0.77 IGF1R (0.43) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991354 0.76 EGFR (0.38) KDM4ETSHRMAPK1HTTHSD17B10

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