SCHEMBL28675587

SCHEMBL28675587

Cc1cnnc(C(=O)Nc2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TYK2 P29597 5/20 0.48
HTT P42858 4/20 0.47
NT5E P21589 2/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
JAK2 O60674 3/20 0.45
GAA P10253 2/20 0.45
MDM2 Q00987 1/20 0.44
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
JAK1 P23458 2/20 0.42
CYP3A4 P08684 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL22749544 0.84 KMT2A (0.47) KDM4EL3MBTL1HTTGAAKMT2A
SCHEMBL19774580 0.76 KDM4E (0.67) KDM4EL3MBTL1TYK2HTTNT5E
SCHEMBL20176980 0.74 KDM4E (0.55) KDM4EL3MBTL1TYK2HTTNT5E
SCHEMBL31171356 0.69 TYK2 (0.58) KDM4EL3MBTL1TYK2HTTROCK2
SCHEMBL15006463 0.68 POLB (0.40) HTTKMT2A
Methyl Alcohol SCHEMBL28281305 0.68 GAA (0.84) KDM4EL3MBTL1TYK2HTTNT5E
SCHEMBL13947140 0.67 KDM4E (0.81) KDM4EL3MBTL1TYK2HTTNT5E
SCHEMBL14716526 0.67 KDM4E (1.00) KDM4EL3MBTL1TYK2HTTNT5E
SCHEMBL1898755 0.67 GAA (0.91) KDM4EL3MBTL1TYK2HTTNT5E
Water SCHEMBL11515613 0.67 TSHR (0.67) KDM4EL3MBTL1TYK2HTTJAK2

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-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN disclosed