SCHEMBL28004487

SCHEMBL28004487

CC(=O)Nc1ncnc2c1ncn2Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ADORA3 P0DMS8 7/20 0.38
ADORA1 P30542 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SLC29A1 Q99808 1/20 0.37
ADORA2A P29274 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
SCHEMBL27392857 0.83 YTHDC1 (0.63) YTHDC1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL5475346 0.82 YTHDC1 (0.40) YTHDC1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL28004446 0.81 YTHDC1 (0.41) YTHDC1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL28004897 0.81 YTHDC1 (0.41) YTHDC1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL21011224 0.79 CDK1 (0.60) ADORA1CCNB2CDK1CCNB1CCNB3
SCHEMBL28251676 0.78 YTHDC1 (0.66) YTHDC1ADORA3ADORA1PDE4APDE4B
SCHEMBL28948281 0.75 ADORA2A (0.59) ALDH1A1ADORA1PDE4APDE4BPDE4C
SCHEMBL28948285 0.75 ADORA2A (0.59) ALDH1A1ADORA1PDE4APDE4BPDE4C
SCHEMBL28252163 0.74 ADORA3 (0.49) YTHDC1KDM4EHTTADORA3ADORA1
SCHEMBL28252137 0.72 CDK1 (0.53) YTHDC1ALDH1A1HTTADORA1PDE4A

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-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN disclosed