SCHEMBL29721706

SCHEMBL29721706

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ NUDT1 P36639 7/20 0.40
▸ TBK1 Q9UHD2 6/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPA Q5VT25 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL23147877 1.00 CDC7 (0.43) CDC7PIM1CDK9NUDT1TBK1
SCHEMBL17126122 0.87 CDC7 (0.43) CDC7PIM1CDK9NUDT1TBK1
SCHEMBL17126124 0.79 NUDT1 (0.45) NUDT1
SCHEMBL23147720 0.78 NUDT1 (0.46) CDC7PIM1CDK9NUDT1TBK1
SCHEMBL29721909 0.77 NUDT1 (0.42) CDK9NUDT1ROCK2CCNKCDK12
SCHEMBL23147741 0.77 NUDT1 (0.43) CDK9NUDT1TBK1LRRK2CLK2
SCHEMBL23148011 0.77 NUDT1 (0.42) CDK9NUDT1ROCK2CCNKCDK12
SCHEMBL29721951 0.77 NUDT1 (0.43) CDK9NUDT1TBK1LRRK2CLK2
SCHEMBL23147722 0.76 TBK1 (0.54) NUDT1TBK1
SCHEMBL29721655 0.76 TBK1 (0.54) NUDT1TBK1

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 1 patent. 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 disclosed
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