SCHEMBL29721655

SCHEMBL29721655

N#Cc1ccnc2[nH]c(C(=O)NC3CCCCCCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.54
▸ NUDT1 P36639 4/20 0.51
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PLA2G7 Q13093 7/20 0.45
▸ MLLT1 Q03111 1/20 0.43
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL23147722 1.00 TBK1 (0.54) TBK1NUDT1NPC1RAB9APLA2G7
SCHEMBL23148005 0.87 TBK1 (0.51) TBK1NUDT1
SCHEMBL29721623 0.87 TBK1 (0.51) TBK1NUDT1
SCHEMBL23148163 0.87 TBK1 (0.51) TBK1NUDT1
SCHEMBL29721668 0.87 TBK1 (0.51) TBK1NUDT1
SCHEMBL23147730 0.82 NUDT1 (0.52) NUDT1RAB9APLA2G7MLLT1
SCHEMBL23148159 0.82 NUDT1 (0.54) TBK1NUDT1PLA2G7MLLT1
SCHEMBL23147942 0.82 NUDT1 (0.54) NUDT1NPC1RAB9APLA2G7MLLT1
SCHEMBL23147696 0.82 NUDT1 (0.54) TBK1NUDT1NPC1RAB9APLA2G7
SCHEMBL23147818 0.82 NUDT1 (0.59) TBK1NUDT1NPC1RAB9APLA2G7

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
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN claimed
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 — — EP disclosed
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
Send feedback