SCHEMBL6774520

SCHEMBL6774520

Cc1nc(N)c2ncn(CCCCNC(=O)COCc3ccccc3)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 5/20 0.37
ADORA1 P30542 5/20 0.37
TMIGD3 P0DMS9 4/20 0.37
CSNK1D P48730 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
TLR8 Q9NR97 1/20 0.36
ADCY5 O95622 1/20 0.36
ADORA2B P29275 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL6773010 0.88 ALDH1A1 (0.43) MAPTADORA2AADORA1TMIGD3ALDH1A1
SCHEMBL6774160 0.86 HPGD (0.47) L3MBTL1ADORA2AADORA1TMIGD3HDAC1
SCHEMBL6768483 0.82 DRD3 (0.44) MAPTALDH1A1HDAC1HDAC2TLR7
SCHEMBL6777509 0.81 FAAH (0.47) MAPTHTTALDH1A1HDAC1LMNA
SCHEMBL6773831 0.80 TLR7 (0.40) MAPTHTTADORA2AADORA1CSNK1D
SCHEMBL6778367 0.80 LMNA (0.44) MAPTHTTADORA2AADORA1TMIGD3
SCHEMBL6098139 0.80 DYRK1A (0.37) ALDH1A1ADCY5MAPK1
SCHEMBL6775246 0.79 HDAC1 (0.41) L3MBTL1ADORA2AALDH1A1HDAC1HDAC2
SCHEMBL6778860 0.79 TLR7 (0.44) CSNK1DTLR7TLR8
SCHEMBL6779152 0.78 TLR7 (0.40) ADORA2AADORA1TMIGD3ALDH1A1TLR7

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