SCHEMBL8991480

SCHEMBL8991480

Cc1ccccc1Cn1c(N)c(C(N)=S)c2c(N)ncnc21

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
SRC P12931 6/20 0.39
ABL1 P00519 4/20 0.39
EGFR P00533 3/20 0.38
CDK1 P06493 1/20 0.38
EPHB4 P54760 1/20 0.38
MAP4K4 O95819 1/20 0.37
ABL2 P42684 1/20 0.36
PIK3CG P48736 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK2 O43353 1/20 0.36
PRKD3 O94806 1/20 0.36
FYN P06241 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL8991123 0.88 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991122 0.88 PDE4A (0.41) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991414 0.83 KDM4E (0.57) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991099 0.80 KDM4E (0.48) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991491 0.79 HTT (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991133 0.79 HTT (0.45) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991169 0.78 MAPK1 (0.45) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991442 0.78 LRRK2 (0.53) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7704461 0.77 HTT (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991011 0.77 KDM4E (0.49) 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 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