SCHEMBL29721472

SCHEMBL29721472

O=C(NC1CCC2(CCC2)CC1)c1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 7/20 0.55
▸ TBK1 Q9UHD2 1/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.40
▸ PLA2G7 Q13093 3/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MLLT1 Q03111 1/20 0.37
▸ SYK P43405 2/20 0.37
▸ SETD2 Q9BYW2 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL23147892 1.00 NUDT1 (0.55) NUDT1TBK1SMYD3PLA2G7MAPK14
SCHEMBL23147750 0.89 NUDT1 (0.55) NUDT1TBK1SMYD3MLLT1SYK
SCHEMBL29722076 0.89 NUDT1 (0.55) NUDT1TBK1SMYD3MLLT1SYK
SCHEMBL29721532 0.88 NUDT1 (0.59) NUDT1TBK1SMYD3PLA2G7MAPK14
SCHEMBL23147818 0.88 NUDT1 (0.59) NUDT1TBK1SMYD3PLA2G7MAPK14
SCHEMBL23147481 0.87 NUDT1 (0.51) NUDT1TBK1PLA2G7MLLT1SETD2
SCHEMBL29721638 0.87 NUDT1 (0.51) NUDT1TBK1PLA2G7MLLT1SETD2
SCHEMBL23147244 0.82 NUDT1 (0.53) NUDT1TBK1SMYD3MLLT1SETD2
SCHEMBL29721662 0.82 NUDT1 (0.53) NUDT1TBK1SMYD3MLLT1SETD2
SCHEMBL23169934 0.78 NUDT1 (0.46) NUDT1TBK1SYK

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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