SCHEMBL4202515

SCHEMBL4202515

O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(CCCBr)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.53
TLR7 Q9NYK1 4/20 0.47
ADORA3 P0DMS8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
PSMD14 O00487 1/20 0.46
HTT P42858 1/20 0.46
BRAF P15056 1/20 0.44
BRD4 O60885 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
RECQL P46063 1/20 0.43
MDM2 Q00987 1/20 0.43
CXCL8 P10145 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4193079 0.87 PNP (0.52) PNPTLR7ADORA3MEN1KMT2A
SCHEMBL5641835 0.79 PNP (0.60) PNPTLR7ADORA3MEN1KMT2A
SCHEMBL4624542 0.77 PNP (0.60) PNPTLR7ADORA3MEN1KMT2A
SCHEMBL18113975 0.76 PNP (0.56) PNPTLR7ADORA3MEN1KMT2A
SCHEMBL10958065 0.74 P2RX7 (0.49) PNPADORA3MEN1KMT2AHTT
SCHEMBL22560010 0.74 PNP (0.65) PNPTLR7HPGDADORA2A
SCHEMBL21389547 0.72 TLR7 (0.51) PNPTLR7MEN1KMT2AHPGD
SCHEMBL10826355 0.71 ALDH1A1 (0.48) PNPMEN1KMT2ATSHRHTT
SCHEMBL3115741 0.71 ADORA2A (0.58) PNPMEN1KMT2AKDM4EHPGD
SCHEMBL8355232 0.71 ADORA3 (0.65) PNPTLR7ADORA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845993-A4 NOVEL ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2009-03-11 EP disclosed
EP-1845993-A2 NOVEL ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2007-10-24 EP disclosed
WO-2006083916-A2 NOVEL ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2006-08-10 WO disclosed