SCHEMBL30622926

SCHEMBL30622926

CON(C)C(=O)c1cc(Br)nn1C[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ AAK1 Q2M2I8 7/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CTSK P43235 5/20 0.32
▸ PTGER1 P34995 1/20 0.31
▸ ACE P12821 1/20 0.30
▸ BACE1 P56817 2/20 0.30
▸ CTSS P25774 2/20 0.30
▸ CTSB P07858 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
SCHEMBL30622923 1.00 JAK3 (0.34) JAK3BTKAAK1CA1CA2
SCHEMBL30622733 1.00 JAK3 (0.34) JAK3BTKAAK1CA1CA2
SCHEMBL26645083 0.88 AAK1 (0.35) AAK1CA1CA2CA7CA4
SCHEMBL26645166 0.88 AAK1 (0.35) AAK1CA1CA2CA7CA4
SCHEMBL26645092 0.88 AAK1 (0.35) AAK1CA1CA2CA7CA4
SCHEMBL26645234 0.86 APAF1 (0.36) —
SCHEMBL26645555 0.86 APAF1 (0.36) —
SCHEMBL26645232 0.86 APAF1 (0.36) —
SCHEMBL30622879 0.85 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL30622865 0.85 AAK1 (0.36) AAK1CA1CA2CA7CA4

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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