SCHEMBL16628943

SCHEMBL16628943

Nc1ncn2ccnc2c1I

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL16664209 0.76 NUDT1 (0.52) NUDT1L3MBTL1
SCHEMBL2314012 0.72 NUDT1 (0.52) NUDT1L3MBTL1
SCHEMBL17718274 0.72 NUDT1 (0.47) NUDT1L3MBTL1
SCHEMBL19646347 0.72 NUDT1 (0.47) NUDT1L3MBTL1
SCHEMBL5496407 0.71 NUDT1 (0.56) NUDT1
SCHEMBL17657179 0.71 NUDT1 (0.46) NUDT1
SCHEMBL25235033 0.68 NUDT1 (0.47) NUDT1
SCHEMBL24589130 0.65 NUDT1 (0.39) NUDT1L3MBTL1
SCHEMBL21082025 0.65 NUDT1 (0.59) NUDT1
SCHEMBL24521477 0.65 NUDT1 (0.39) NUDT1L3MBTL1

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
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed