Iodide

Iodide

SCHEMBL28982230

CN(CCN1CC[N+](C)(C)CC1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl.[I-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 17/20 0.39
▸ LCK P06239 5/20 0.34
▸ AURKB Q96GD4 4/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ ERBB3 P21860 1/20 0.30
▸ ERBB4 Q15303 1/20 0.30

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
SCHEMBL25176442 0.99 PTK6 (0.40) PTK6LCKAURKBMAPKAPK5AURKA
SCHEMBL24112330 0.96 PTK6 (0.39) PTK6LCKAURKBMAPKAPK5AURKA
SCHEMBL22123725 0.92 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL30171867 0.92 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL25450726 0.89 PTK6 (0.38) PTK6LCKAURKBMAPKAPK5
SCHEMBL28982185 0.88 PTK6 (0.39) PTK6LCKEGFR
Trifluoroacetic Acid SCHEMBL30386113 0.88 PTK6 (0.39) PTK6LCKAURKBMAPKAPK5AURKA
SCHEMBL24112356 0.88 PTK6 (0.38) PTK6LCKAURKB
SCHEMBL30402918 0.88 PTK6 (0.39) PTK6LCKEGFR
Trifluoroacetic Acid SCHEMBL28982207 0.86 PTK6 (0.36) PTK6

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-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP claimed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
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