SCHEMBL5668331

SCHEMBL5668331

CCOCc1nc2cnc3ccccc3c2n1C(C)(C)CO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.45
TLR8 Q9NR97 9/20 0.45
NUDT1 P36639 1/20 0.45
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
MYC P01106 1/20 0.33

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
SCHEMBL9389981 0.88 POLB (0.37) TLR7TLR8NUDT1PDE10AALDH1A1
SCHEMBL9388638 0.86 PDE10A (0.38) TLR7PDE10ATSHRCYP1A2
SCHEMBL4317842 0.82 TLR7 (0.53) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL9036377 0.81 NPC1 (0.40) TLR7PDE10AALDH1A1MEN1KMT2A
SCHEMBL4135751 0.81 TLR7 (0.45) TLR7TLR8NUDT1PDE10AALDH1A1
SCHEMBL1706194 0.80 TLR7 (0.67) TLR7TLR8NUDT1
SCHEMBL16802296 0.79 PDE10A (0.49) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL6105237 0.79 TLR8 (0.48) TLR7TLR8NUDT1PDE10AALDH1A1
SCHEMBL18179115 0.78 TLR7 (0.49) TLR7TLR8NUDT1PDE10AALDH1A1
SCHEMBL4756005 0.78 TLR7 (0.46) TLR7TLR8NUDT1PDE10AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318812-A1 METHODS FOR DELAYING RECURRENCE OF HERPES VIRUS SYMPTOMS 3M Innovative Properties Company (US) 2003-06-18 EP claimed
WO-2002022125-A1 METHODS FOR DELAYING RECURRENCE OF HERPES VIRUS SYMPTOMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-03-21 WO claimed
WO-2014201245-A1 TLR-9 AGONIST WITH TLR-7 AND/OR TLR-8 AGONIST FOR TREATING TUMORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-12-18 WO disclosed
EP-1461074-A4 AGENTS FOR ENHANCING THE IMMUNE RESPONSE BECTON DICKINSON CO (US) 2006-01-11 EP disclosed
EP-1608282-A2 METHODS FOR DIAGNOSING SKIN LESIONS 3M Innovative Properties Company (US) 2005-12-28 EP disclosed
EP-1461074-A2 AGENTS FOR ENHANCING THE IMMUNE RESPONSE Becton, Dickinson and Company (US) 2004-09-29 EP disclosed
WO-2004080293-A2 METHODS FOR DIAGNOSING SKIN LESIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
WO-2003015694-A2 AGENTS FOR ENHANCING THE IMMUNE RESPONSE BECTON, DICKINSON AND COMPANY (US) 2003-02-27 WO disclosed