SCHEMBL7704465

SCHEMBL7704465

Cc1ccccc1Cn1cc(SC(N)=O)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.40
SRC P12931 5/20 0.38
EGFR P00533 3/20 0.38
CDK1 P06493 1/20 0.38
PIK3CD O00329 4/20 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
RIPK2 O43353 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ABL1 P00519 1/20 0.36
ABL2 P42684 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
EPHB4 P54760 1/20 0.36
ATG7 O95352 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL8991419 0.86 PDE4A (0.40) EIF2AK3SRCEGFRKDM4ETSHR
SCHEMBL7696372 0.84 ADORA2A (0.48) SRCEGFRCDK1PIK3CDKDM4E
SCHEMBL7700881 0.83 CFD (0.45) EIF2AK3SRCEGFRCDK1PIK3CD
SCHEMBL7698505 0.82 FYN (0.39) EIF2AK3SRCEGFRKDM4ETSHR
SCHEMBL7697687 0.81 RIPK1 (0.42) EIF2AK3SRCKDM4ETSHRMAPK1
SCHEMBL8991256 0.80 KDM4E (0.40) EIF2AK3SRCEGFRCDK1PIK3CD
SCHEMBL8991245 0.79 SRC (0.40) EIF2AK3SRCEGFRCDK1PIK3CD
SCHEMBL7704461 0.79 HTT (0.42) EIF2AK3SRCEGFRCDK1PIK3CD
SCHEMBL8991491 0.78 HTT (0.42) EIF2AK3SRCEGFRCDK1KDM4E
SCHEMBL7701508 0.78 KMT2A (0.42) EIF2AK3SRCKDM4EHTTRIPK2

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