SCHEMBL30622912

SCHEMBL30622912

C[C@@H]1Cn2nc(-c3ccc(Cl)cc3)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 3/20 0.39
▸ CACNA1A O00555 3/20 0.39
▸ CACNA1G O43497 3/20 0.39
▸ CACNG3 O60359 3/20 0.39
▸ CACNA1F O60840 3/20 0.39
▸ CACNA1H O95180 3/20 0.39
▸ CACNB3 P54284 3/20 0.39
▸ CACNA2D1 P54289 3/20 0.39
▸ CACNG7 P62955 3/20 0.39
▸ CACNA1B Q00975 3/20 0.39
▸ CACNA1D Q01668 3/20 0.39
▸ CACNB1 Q02641 3/20 0.39
▸ CACNG1 Q06432 3/20 0.39
▸ CACNB2 Q08289 3/20 0.39
▸ CACNA1S Q13698 3/20 0.39
▸ CACNA1C Q13936 3/20 0.39
▸ CACNA1E Q15878 3/20 0.39
▸ CACNA2D4 Q7Z3S7 3/20 0.39
▸ CACNA2D3 Q8IZS8 3/20 0.39
▸ CACNG8 Q8WXS5 3/20 0.39

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
SCHEMBL30622811 1.00 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL30622961 0.89 GRM5 (0.46) SETD7HTTGRM5
SCHEMBL30622799 0.89 GRM5 (0.46) SETD7HTTGRM5
SCHEMBL30622977 0.88 NR1H2 (0.41) SETD7GRM5
SCHEMBL30623073 0.88 NR1H2 (0.41) SETD7GRM5
SCHEMBL26645559 0.84 GRM5 (0.39) GRM5TACR3KDM4EHPGDHSD17B10
SCHEMBL26645186 0.84 GRM5 (0.39) GRM5TACR3KDM4EHPGDHSD17B10
SCHEMBL26645578 0.79 GRM5 (0.50) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL24321116 0.78 GRM5 (0.37) SETD7MEN1KMT2AGRM5
SCHEMBL30622984 0.78 GRM5 (0.37) SETD7MEN1KMT2AGRM5

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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