SCHEMBL24601047

SCHEMBL24601047

NC1CCN(c2ccnc3[nH]c(=O)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.65
PBK Q96KB5 3/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
CDC42BPB Q9Y5S2 2/20 0.46
ENPP1 P22413 7/20 0.46
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
GSK3B P49841 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KIT P10721 1/20 0.40
RET P07949 1/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37

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
Hydrochloric Acid SCHEMBL29691578 0.99 AKT2 (0.64) AKT2PBKROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL26679921 0.99 AKT2 (0.64) AKT2PBKROCK2ROCK1CDC42BPB
SCHEMBL24600523 0.86 ENPP1 (0.51) AKT2PBKROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL29691554 0.85 ENPP1 (0.50) AKT2PBKROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL26679916 0.85 ENPP1 (0.50) AKT2PBKROCK2ROCK1CDC42BPB
SCHEMBL24600686 0.84 ENPP1 (0.53) AKT2PBKROCK2ROCK1CDC42BPB
SCHEMBL26679910 0.83 AKT2 (0.45) AKT2PBKROCK2ROCK1CDC42BPB
SCHEMBL24600568 0.83 AKT2 (0.48) AKT2PBKROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL29692010 0.83 ENPP1 (0.52) AKT2PBKROCK2ROCK1CDC42BPB
SCHEMBL29691604 0.83 AKT2 (0.48) AKT2PBKROCK2ROCK1CDC42BPB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 CN claimed
EP-4276100-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-11-15 EP disclosed
CN-116669726-A Novel naphthyridinone derivatives having inhibitory activity against exonuclease-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-08-29 CN disclosed
WO-2022146022-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF 주식회사 티씨노바이오사이언스 2022-07-07 WO disclosed