SCHEMBL29721944

SCHEMBL29721944

CC1(C)CCC(NC(=O)c2cc3c(Br)ccnc3[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.50
▸ CD38 P28907 1/20 0.45
▸ TBK1 Q9UHD2 1/20 0.41
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ SETD2 Q9BYW2 1/20 0.39

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
SCHEMBL23147659 1.00 NUDT1 (0.50) NUDT1CD38TBK1CCNCCDK8
SCHEMBL23147750 0.86 NUDT1 (0.55) NUDT1CD38TBK1CCNCCDK8
SCHEMBL29722076 0.86 NUDT1 (0.55) NUDT1CD38TBK1CCNCCDK8
SCHEMBL29721501 0.86 NUDT1 (0.54) NUDT1TBK1
SCHEMBL23148159 0.86 NUDT1 (0.54) NUDT1TBK1
SCHEMBL23147826 0.85 NUDT1 (0.49) NUDT1CD38TBK1CCNCCDK8
SCHEMBL29721656 0.85 NUDT1 (0.49) NUDT1CD38TBK1CCNCCDK8
SCHEMBL23147769 0.85 NUDT1 (0.49) NUDT1CD38TBK1CCNCCDK8
SCHEMBL23147714 0.84 NUDT1 (0.48) NUDT1CD38TBK1
SCHEMBL23148163 0.84 TBK1 (0.51) NUDT1CD38TBK1CCNCCDK8

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
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