SCHEMBL30622817

SCHEMBL30622817

C[C@@H]1c2c(I)c(Br)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR119 Q8TDV5 5/20 0.33
▸ SETD7 Q8WTS6 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL29308619 0.85 MAP4K4 (0.36) ALDH1A1GPR119SETD7MAP4K4UCHL1
SCHEMBL26645533 0.83 — —
SCHEMBL30622860 0.82 GPR119 (0.40) GPR119SETD7MAP4K4UCHL1
SCHEMBL29308615 0.81 KCNH2 (0.38) ALDH1A1GPR119UCHL1
SCHEMBL30622862 0.78 CSNK1D (0.37) ALDH1A1SETD7HDAC1
SCHEMBL26645130 0.78 CSNK1D (0.37) ALDH1A1SETD7HDAC1
SCHEMBL26645124 0.76 NR1H2 (0.40) GPR119SETD7NR1H2NR1H3
SCHEMBL30622921 0.76 NR1H2 (0.40) GPR119SETD7NR1H2NR1H3
SCHEMBL29308618 0.75 SETD7 (0.31) SETD7
SCHEMBL30622784 0.74 SETD7 (0.34) GPR119SETD7MAP4K4HDAC1NR1H2

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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