SCHEMBL29721668

SCHEMBL29721668

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.51
▸ NUDT1 P36639 7/20 0.48
▸ CD38 P28907 1/20 0.43
▸ AR P10275 4/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL23148163 1.00 TBK1 (0.51) TBK1NUDT1CD38ARCCNC
SCHEMBL23147722 0.87 TBK1 (0.54) TBK1NUDT1
SCHEMBL29721655 0.87 TBK1 (0.54) TBK1NUDT1
SCHEMBL29721623 0.85 TBK1 (0.51) TBK1NUDT1ARCDC7PIM1
SCHEMBL23148005 0.85 TBK1 (0.51) TBK1NUDT1ARCDC7PIM1
SCHEMBL23147769 0.85 NUDT1 (0.49) TBK1NUDT1CD38CCNCCDK8
SCHEMBL29722076 0.84 NUDT1 (0.55) TBK1NUDT1CD38CCNCCDK8
SCHEMBL23147659 0.84 NUDT1 (0.50) TBK1NUDT1CD38CCNCCDK8
SCHEMBL23147750 0.84 NUDT1 (0.55) TBK1NUDT1CD38CCNCCDK8
SCHEMBL29721944 0.84 NUDT1 (0.50) TBK1NUDT1CD38CCNCCDK8

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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