SCHEMBL21556891

SCHEMBL21556891

CCC(C)c1ccnc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HRH3 Q9Y5N1 5/20 0.45
TLR8 Q9NR97 1/20 0.42
HRH4 Q9H3N8 8/20 0.41
NUDT1 P36639 2/20 0.41
AURKA O14965 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PRKACA P17612 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL29776554 0.85 POLB (0.49) POLBHRH3TLR8HRH4NUDT1
SCHEMBL27814382 0.83 TLR8 (0.46) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2031722 0.82 POLB (0.50) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2036582 0.82 POLB (0.46) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2035539 0.82 POLB (0.46) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2036679 0.82 POLB (0.46) POLBHRH3TLR8HRH4NUDT1
SCHEMBL83993 0.81 POLB (0.56) POLBHRH3TLR8HRH4NUDT1
SCHEMBL29718738 0.81 POLB (0.56) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2033996 0.79 POLB (0.54) POLBHRH3TLR8HRH4NUDT1
SCHEMBL2033811 0.78 POLB (0.53) POLBHRH3TLR8HRH4NUDT1

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
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed