SCHEMBL28401643

SCHEMBL28401643

Cc1cnn(CCCN)c1.Cc1cnn(CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
DRD2 P14416 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
DYRK1A Q13627 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
SCHEMBL22366404 0.94 TDP1 (0.46) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL13975444 0.86 LMNA (0.47) TDP1STK17BSTK17ADRD2CCNC
SCHEMBL16245608 0.83 TDP1 (0.44) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL22012670 0.83 TDP1 (0.47) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL31627058 0.81 TDP1 (0.44) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL19027486 0.81 DRD2 (0.45) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL13165704 0.80 MEN1 (0.45) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL16245563 0.80 TDP1 (0.47) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL20140741 0.80 L3MBTL1 (0.52) TDP1STK17BSTK17ADRD2MAOA
SCHEMBL25014637 0.79 TDP1 (0.49) TDP1STK17BSTK17ADRD2MAOA

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-111225917-A Substituted imidazopyridine amides and uses thereof 拜耳股份公司 2020-06-02 CN disclosed