SCHEMBL29248785

SCHEMBL29248785

Cc1ccccc1CCc1cccc(Nc2ccnc3[nH]c(=O)ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.44
▸ PTK6 Q13882 7/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ APP P05067 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ ERBB2 P04626 3/20 0.38
▸ AURKA O14965 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ AURKC Q9UQB9 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ PTGS1 P23219 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 SCHEMBL29691562 0.99 NR3C2 (0.43) NR3C2PTK6GPR84APPNR4A2
Hydrochloric Acid SCHEMBL26679848 0.99 NR3C2 (0.43) NR3C2PTK6GPR84APPNR4A2
Hydrochloric Acid SCHEMBL30546633 0.79 APP (0.40) PTK6APPNR4A2ERBB2AURKA
Hydrochloric Acid SCHEMBL26679845 0.79 APP (0.40) PTK6APPNR4A2ERBB2AURKA
SCHEMBL24600663 0.79 APP (0.44) PTK6APPNR4A2ERBB2AURKA
Hydrochloric Acid SCHEMBL26679855 0.78 PTK6 (0.39) PTK6APPNR4A2ERBB2AURKA
SCHEMBL24600522 0.78 APP (0.41) PTK6APPNR4A2ERBB2AURKA
Hydrochloric Acid SCHEMBL30546664 0.77 APP (0.43) PTK6APPNR4A2ERBB2AURKA
SCHEMBL24600519 0.77 TNNI3K (0.40) PTK6APPNR4A2ERBB2AURKA
Hydrochloric Acid SCHEMBL26679816 0.77 APP (0.43) PTK6APPNR4A2ERBB2AURKA

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
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
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
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