SCHEMBL24600593

SCHEMBL24600593

NSNCc1cc(-c2ccnc3[nH]c(=O)ccc23)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.34
▸ PDE3A Q14432 3/20 0.34
▸ NUDT1 P36639 3/20 0.34
▸ IKBKB O14920 5/20 0.34
▸ CHUK O15111 5/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ CCNT1 O60563 5/20 0.34
▸ CDK9 P50750 5/20 0.34
▸ PRKCI P41743 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ CIT O14578 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL29248806 0.85 IKBKB (0.39) PDE3BPDE3ANUDT1IKBKBCHUK
Hydrochloric Acid SCHEMBL29691558 0.84 IKBKB (0.39) PDE3BPDE3ANUDT1IKBKBCHUK
Hydrochloric Acid SCHEMBL26679839 0.84 IKBKB (0.39) PDE3BPDE3ANUDT1IKBKBCHUK
SCHEMBL24600592 0.84 ENPP1 (0.46) IKBKBCHUKROCK1CCNT1CDK9
Hydrochloric Acid SCHEMBL26679908 0.83 ENPP1 (0.48) IKBKBCHUKROCK1CCNT1CDK9
Hydrochloric Acid SCHEMBL26679901 0.83 CDK9 (0.37) PDE3BPDE3ANUDT1IKBKBCHUK
SCHEMBL24600623 0.80 NUDT1 (0.40) PDE3BPDE3ANUDT1IKBKBCHUK
SCHEMBL24600499 0.78 BTK (0.40) PDE3BPDE3ANUDT1IKBKBCHUK
Hydrochloric Acid SCHEMBL29691615 0.77 BTK (0.39) PDE3BPDE3ANUDT1IKBKBCHUK
Hydrochloric Acid SCHEMBL26679831 0.77 BTK (0.39) PDE3BPDE3ANUDT1IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022146022-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF 주식회사 티씨노바이오사이언스 2022-07-07 — — WO disclosed
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