SCHEMBL24600499

SCHEMBL24600499

NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.40
▸ IKBKB O14920 5/20 0.39
▸ CHUK O15111 5/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ PRKCI P41743 2/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ NUDT1 P36639 1/20 0.35

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 SCHEMBL26679831 0.99 BTK (0.39) BTKIKBKBCHUKROCK1CCNK
Hydrochloric Acid SCHEMBL29691615 0.99 BTK (0.39) BTKIKBKBCHUKROCK1CCNK
SCHEMBL29248806 0.90 IKBKB (0.39) IKBKBCHUKROCK1CCNKCDK12
Hydrochloric Acid SCHEMBL26679839 0.89 IKBKB (0.39) IKBKBCHUKROCK1CCNKCDK12
Hydrochloric Acid SCHEMBL29691558 0.89 IKBKB (0.39) IKBKBCHUKROCK1CCNKCDK12
SCHEMBL29248823 0.86 BTK (0.42) BTKIKBKBCHUKROCK1PDE3B
Hydrochloric Acid SCHEMBL26679856 0.85 ENPP1 (0.42) BTKIKBKBCHUKROCK1PDE3B
Hydrochloric Acid SCHEMBL29691577 0.85 ENPP1 (0.42) BTKIKBKBCHUKROCK1PDE3B
SCHEMBL26679922 0.84 ENPP1 (0.55) BTKIKBKBCHUKROCK1ENPP1
SCHEMBL26877271 0.84 BTK (0.41) BTKIKBKBCHUKROCK1PDE3B

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
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
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