SCHEMBL8991238

SCHEMBL8991238

CNc1ncnc2c1c(SC(N)=O)c(N)n2Cc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.37
NR3C2 P08235 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
YTHDC1 Q96MU7 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
SCHEMBL8990972 0.90 MEN1 (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL8991108 0.89 KDM4E (0.46) AURKARPS6KB1MMP13KDM4ETSHR
SCHEMBL8991147 0.89 GAA (0.39) RPS6KB1MEN1NPC1RAB9AKMT2A
SCHEMBL8991137 0.84 AURKA (0.40) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL8991129 0.83 PDE4A (0.41) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL8991328 0.82 ALDH1A1 (0.44) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL8991097 0.82 CCR9 (0.37) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL8991130 0.82 MEN1 (0.39) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL8991221 0.82 MEN1 (0.39) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL8991207 0.81 AURKA (0.40) AURKARPS6KB1NPC1RAB9AMMP13

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