SCHEMBL28251676

SCHEMBL28251676

CNc1ncnc2c1ncn2Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.66
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
ADORA3 P0DMS8 8/20 0.47
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE1C Q14123 1/20 0.47
PDE3A Q14432 1/20 0.47
ADORA1 P30542 5/20 0.46
AHCY P23526 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
P2RY1 P47900 1/20 0.43

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
SCHEMBL28252163 0.81 ADORA3 (0.49) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL763699 0.79 YTHDC1 (1.00) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL28004487 0.78 YTHDC1 (0.41) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL28252137 0.78 CDK1 (0.53) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL23771392 0.78 YTHDC1 (0.66) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL28252115 0.78 YTHDC1 (0.66) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL28252117 0.78 YTHDC1 (0.66) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL20041716 0.78 YTHDC1 (0.66) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL8970970 0.78 YTHDC1 (0.66) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL6272991 0.76 YTHDC1 (0.64) YTHDC1PDE4APDE4BPDE4CPDE4D

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-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed