SCHEMBL8991099

SCHEMBL8991099

Cc1cccc(Cn2c(N)c(C(N)=S)c3c(N)ncnc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
SRC P12931 5/20 0.44
ABL1 P00519 3/20 0.44
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
RIPK1 Q13546 1/20 0.40
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL8991144 0.89 KDM4E (0.48) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991221 0.88 MEN1 (0.39) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991414 0.86 KDM4E (0.57) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991169 0.81 MAPK1 (0.45) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991108 0.81 KDM4E (0.46) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991162 0.81 KDM4E (0.46) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991011 0.80 KDM4E (0.49) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991480 0.80 KDM4E (0.44) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL8991072 0.79 LRRK2 (0.51) KDM4EMAPK1HTTHSD17B10TSHR
SCHEMBL7697684 0.78 ADRA1D (0.41) KDM4EMAPK1HTTHSD17B10TSHR

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