SCHEMBL30622784

SCHEMBL30622784

C[C@@H]1Cn2nc(Br)c(I)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 2/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ GPR119 Q8TDV5 3/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ NR1H2 P55055 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
SCHEMBL30622818 1.00 SETD7 (0.34) SETD7MAP4K4GPR119HDAC1HSD11B1
SCHEMBL26645349 1.00 SETD7 (0.34) SETD7MAP4K4GPR119HDAC1HSD11B1
SCHEMBL26645369 0.82 — —
SCHEMBL26645043 0.82 — —
SCHEMBL26645373 0.82 — —
SCHEMBL16697373 0.80 MAP4K4 (0.35) SETD7MAP4K4GPR119HDAC1HSD11B1
SCHEMBL30622940 0.79 CSNK1D (0.37) SETD7MAP4K4HDAC1
SCHEMBL30622953 0.79 KCNK3 (0.42) SETD7MEN1KMT2A
SCHEMBL30622815 0.79 CSNK1D (0.37) SETD7MAP4K4HDAC1
SCHEMBL30622869 0.79 USP30 (0.39) SETD7MAP4K4GPR119HSD11B1

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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