SCHEMBL6773545

SCHEMBL6773545

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)c2cccc(C#N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.43
TLR8 Q9NR97 2/20 0.43
ADORA2A P29274 4/20 0.39
FASN P49327 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC9A1 P19634 1/20 0.38
CYP2C19 P33261 1/20 0.38
RORC P51449 3/20 0.37
NAMPT P43490 1/20 0.36
SYK P43405 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
SCHEMBL6773368 0.89 TLR7 (0.43) TLR7TLR8NAMPT
SCHEMBL6773282 0.89 P2RY12 (0.43) TLR7TLR8CYP3A4CYP2C9CYP2C19
SCHEMBL6768623 0.88 CCR2 (0.43)
SCHEMBL6768740 0.87 NPC1 (0.42) TLR7TLR8
SCHEMBL6772904 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL6779023 0.83 GAA (0.40) TLR7TLR8
SCHEMBL6773100 0.82 RAB9A (0.46) TLR7TLR8
SCHEMBL6777740 0.82 LMNA (0.46) TLR7CYP3A4CYP2C9CYP2C19
SCHEMBL6769722 0.81 MAPK7 (0.42)
SCHEMBL6768596 0.80 MCHR1 (0.47) TLR7TLR8ADORA2ANAMPT

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed