SCHEMBL6774160

SCHEMBL6774160

Cc1nc(N)c2ncn(CCCCNC(=O)CCc3ccccc3)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TMIGD3 P0DMS9 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2B P29275 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
TSHR P16473 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40

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 0.90 ALDH1A1 (0.43) HPGDGAATMIGD3ADORA2AADORA1
SCHEMBL6774520 0.86 TP53 (0.37) LMNATMIGD3ADORA2AADORA1L3MBTL1
SCHEMBL3863867 0.86 TLR7 (0.49) HPGDLMNAADORA2A
SCHEMBL6778367 0.86 LMNA (0.44) HPGDGAALMNAKDM4ETMIGD3
SCHEMBL6775246 0.85 HDAC1 (0.41) ADORA2AKMT2AL3MBTL1HDAC1HDAC2
SCHEMBL6768483 0.84 DRD3 (0.44) GAALMNAKMT2ADRD2DRD3
SCHEMBL6777509 0.83 FAAH (0.47) HPGDGAALMNAKDM4EKMT2A
SCHEMBL6098139 0.82 DYRK1A (0.37) KDM4E
SCHEMBL6772471 0.81 HPGD (0.46) HPGDGAALMNAKDM4EKMT2A
SCHEMBL6779152 0.81 TLR7 (0.40) HPGDLMNAKDM4ETMIGD3ADORA2A

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