SCHEMBL6778424

SCHEMBL6778424

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=S)NCCCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.37
TLR8 Q9NR97 9/20 0.36
NUDT1 P36639 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6777534 0.83 TLR7 (0.36) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL6776398 0.82 KDM4E (0.36) TLR8NPC1RAB9AALDH1A1
SCHEMBL6782528 0.82 HPGD (0.42) NPC1ALDH1A1RECQL
SCHEMBL6776337 0.82 TLR8 (0.45) TLR7TLR8NUDT1RAB9AALDH1A1
SCHEMBL6094643 0.81 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6288244 0.81 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6768601 0.80 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6776249 0.80 QPCT (0.47) TLR8ALDH1A1
SCHEMBL6778701 0.80 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6094673 0.79 TLR7 (0.40) TLR7TLR8NUDT1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed