SCHEMBL8991108

SCHEMBL8991108

Cc1cccc(Cn2c(N)c(SC(N)=O)c3c(N)ncnc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
KDR P35968 1/20 0.39
AURKA O14965 2/20 0.39
IKBKE Q14164 1/20 0.39
AURKB Q96GD4 1/20 0.39
SRC P12931 4/20 0.38
ABL1 P00519 2/20 0.38
RPS6KB1 P23443 1/20 0.38
ATG7 O95352 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
MMP13 P45452 1/20 0.37
AMPD2 Q01433 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
SCHEMBL8991238 0.89 AURKA (0.40) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991429 0.88 MAPK1 (0.54) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991162 0.83 KDM4E (0.46) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991491 0.82 HTT (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991022 0.81 KDM4E (0.44) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991185 0.81 KDM4E (0.41) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991144 0.81 KDM4E (0.48) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8991099 0.81 KDM4E (0.48) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL7697687 0.80 RIPK1 (0.42) KDM4ETSHRMAPK1HTTHSD17B10
SCHEMBL8990972 0.77 MEN1 (0.46) 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