SCHEMBL23472269

SCHEMBL23472269

CCC(CC#N)Nc1nc(N)ncc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.44
▸ CRHR1 P34998 2/20 0.33
▸ KCNH2 Q12809 4/20 0.32
▸ TLR8 Q9NR97 3/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL12692509 0.87 NUDT1 (0.53) NUDT1CRHR1KCNH2TLR8TLR7
SCHEMBL9885084 0.79 NUDT1 (0.51) NUDT1TLR8TLR7JAK1L3MBTL1
SCHEMBL250475 0.79 NUDT1 (0.51) NUDT1TLR8TLR7JAK1L3MBTL1
SCHEMBL218367 0.79 NUDT1 (0.51) NUDT1TLR8TLR7JAK1L3MBTL1
SCHEMBL218369 0.75 ADORA2A (0.41) NUDT1CRHR1TLR8TLR7L3MBTL1
SCHEMBL9884961 0.72 NUDT1 (0.55) NUDT1TLR8L3MBTL1PIK3CDPIK3CB
SCHEMBL9885018 0.72 NUDT1 (0.55) NUDT1TLR8L3MBTL1PIK3CDPIK3CB
SCHEMBL20386651 0.72 KCNH2 (0.59) NUDT1KCNH2TLR8TLR7
SCHEMBL23472430 0.71 TLR8 (0.57) NUDT1KCNH2TLR8TLR7
SCHEMBL217587 0.70 BCL6 (0.47) NUDT1CRHR1KCNH2TLR8TLR7

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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