SCHEMBL5672159

SCHEMBL5672159

Cc1nc(C)c(C)c(NN)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL16751786 0.78 ALDH1A1 (0.31) NPSR1ALDH1A1MAPTGAA
SCHEMBL10267453 0.77 NPSR1 (0.32) TLR8TLR7NPSR1ALDH1A1MAPT
SCHEMBL12341096 0.77 IDO1 (0.34) TLR8TLR7ALDH1A1MAPTGAA
SCHEMBL17841635 0.76 NR1I2 (0.39) TLR8NPSR1ALDH1A1MAPT
SCHEMBL10836677 0.72 TLR8 (0.47) TLR8TLR7ALDH1A1
SCHEMBL27690701 0.72 KDM4E (0.36)
SCHEMBL11916234 0.71 TLR8 (0.43) TLR8TLR7NPSR1ALDH1A1
SCHEMBL10267528 0.71 PDE10A (0.41) NPSR1ALDH1A1MAPTGAA
SCHEMBL77166 0.71 LMNA (0.30)
SCHEMBL13663846 0.67 NPSR1 (0.34) NPSR1ALDH1A1MAPT

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
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed