SCHEMBL30622727

SCHEMBL30622727

C[C@@H](Cn1nc(Br)cc1CO)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CTSK P43235 4/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL30622844 1.00 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL30622899 0.85 AAK1 (0.33) AAK1CA1CA2CA7CA4
SCHEMBL26645679 0.85 AAK1 (0.33) AAK1CA1CA2CA7CA4
SCHEMBL30622879 0.83 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL30622865 0.83 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL26645450 0.83 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL26645447 0.83 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL26645540 0.83 AAK1 (0.36) AAK1CA1CA2CA7CA4
SCHEMBL30622914 0.82 CTSK (0.37) AAK1CA1CA2CA7CA4
SCHEMBL26645166 0.82 AAK1 (0.35) 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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