SCHEMBL6772297

SCHEMBL6772297

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=S)NC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.44
TLR8 Q9NR97 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
NUDT1 P36639 1/20 0.39
ACHE P22303 1/20 0.39
ALOX12 P18054 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6775141 0.92 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6778763 0.88 ALDH1A1 (0.42) TLR7TLR8SMN1; SMN2ALDH1A1MEN1
SCHEMBL6778839 0.87 MAPKAPK2 (0.43) TLR7TLR8SMN1; SMN2MAPKAPK2CYP1A2
SCHEMBL6768640 0.83 TLR7 (0.43) TLR7TLR8MEN1KMT2ARAB9A
SCHEMBL6773648 0.83 TLR7 (0.48) TLR7TLR8ALDH1A1MEN1KMT2A
SCHEMBL6779814 0.83 FAAH (0.47) TLR7TLR8MAPKAPK2ALDH1A1KMT2A
SCHEMBL6779049 0.83 DRD2 (0.45) TLR7TLR8MEN1CYP1A2CYP3A4
SCHEMBL6778794 0.83 SMN1; SMN2 (0.48) TLR7TLR8SMN1; SMN2ALDH1A1MEN1
SCHEMBL6773147 0.82 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6286196 0.82 TLR7 (0.45) 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