SCHEMBL5348118

SCHEMBL5348118

CCOC(=O)Cn1c(Br)nc2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.64
ADORA1 P30542 17/20 0.64
ADORA2B P29275 14/20 0.64
ADORA3 P0DMS8 8/20 0.64
KDM4E B2RXH2 1/20 0.46
FBP1 P09467 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL15653932 0.90 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL30254269 0.88 ADORA2A (0.66) ADORA2AADORA1ADORA2BADORA3LMNA
Ethyl Acetate SCHEMBL23885365 0.86 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3FBP1
Ethyl Acetate SCHEMBL30254532 0.86 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL25223774 0.84 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL23885221 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL30052722 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5039892 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1755068 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL30254658 0.77 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3FBP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed