SCHEMBL30622883

SCHEMBL30622883

C[C@H]1Cn2nc(-c3ccc(Cl)cc3)c(I)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.42
▸ KCNK9 Q9NPC2 6/20 0.42
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ CACNG1 Q06432 1/20 0.36
▸ CACNB2 Q08289 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ CACNA1E Q15878 1/20 0.36
▸ CACNA2D4 Q7Z3S7 1/20 0.36

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
SCHEMBL30622953 1.00 KCNK3 (0.42) KCNK3KCNK9CACNB4CACNA1ACACNA1G
SCHEMBL30622815 0.90 CSNK1D (0.37) KCNK3SETD7SMO
SCHEMBL30622940 0.90 CSNK1D (0.37) KCNK3SETD7SMO
SCHEMBL30622988 0.88 NR1H2 (0.39) SETD7SMO
SCHEMBL30622801 0.88 NR1H2 (0.39) SETD7SMO
SCHEMBL30622927 0.85 KCNK3 (0.41) KCNK3KCNK9CACNB4CACNA1ACACNA1G
SCHEMBL30622908 0.85 KCNK3 (0.41) KCNK3KCNK9CACNB4CACNA1ACACNA1G
SCHEMBL26645067 0.85 SMO (0.40) MEN1KMT2ACNR1SMO
SCHEMBL26645225 0.85 SMO (0.40) MEN1KMT2ACNR1SMO
SCHEMBL30622784 0.79 SETD7 (0.34) SETD7MEN1KMT2A

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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