SCHEMBL29721501

SCHEMBL29721501

O=C(NC1CCCCCCC1)c1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.54
▸ PLA2G7 Q13093 8/20 0.47
▸ HTT P42858 1/20 0.46
▸ MLLT1 Q03111 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL23148159 1.00 NUDT1 (0.54) NUDT1PLA2G7HTTMLLT1MEN1
SCHEMBL29721944 0.86 NUDT1 (0.50) NUDT1TBK1
SCHEMBL23147659 0.86 NUDT1 (0.50) NUDT1TBK1
SCHEMBL29721532 0.85 NUDT1 (0.59) NUDT1PLA2G7MLLT1KMT2ATBK1
SCHEMBL23147942 0.85 NUDT1 (0.54) NUDT1PLA2G7MLLT1
SCHEMBL23147696 0.85 NUDT1 (0.54) NUDT1PLA2G7MLLT1TBK1
SCHEMBL23147818 0.85 NUDT1 (0.59) NUDT1PLA2G7MLLT1KMT2ATBK1
SCHEMBL23147804 0.84 NUDT1 (0.53) NUDT1PLA2G7MLLT1TBK1
SCHEMBL23147730 0.83 NUDT1 (0.52) NUDT1PLA2G7MLLT1
SCHEMBL23147945 0.82 NUDT1 (0.51) NUDT1PLA2G7MLLT1TBK1

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