SCHEMBL25218292

SCHEMBL25218292

Cc1cc(-c2ccncc2N2CCCC[C@@H](N(C)C(=O)O)C2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.46
▸ CRBN Q96SW2 1/20 0.38
▸ DGAT2 Q96PD7 4/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ CD69 Q07108 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ATR Q13535 1/20 0.32

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
SCHEMBL25273905 1.00 BTK (0.46) BTKCRBNDGAT2KLKB1CD69
SCHEMBL25248305 0.98 BTK (0.46) BTKCRBNDGAT2KLKB1ATR
SCHEMBL25248307 0.98 BTK (0.46) BTKCRBNDGAT2KLKB1ATR
SCHEMBL25262776 0.95 BTK (0.47) BTKCRBNDGAT2KLKB1
SCHEMBL25254966 0.92 BTK (0.44) BTKCRBNDGAT2KLKB1CD69
SCHEMBL29418528 0.92 BTK (0.44) BTKCRBNDGAT2KLKB1CD69
SCHEMBL29418525 0.92 BTK (0.44) BTKCRBNDGAT2KLKB1CD69
SCHEMBL25254965 0.92 BTK (0.44) BTKCRBNDGAT2KLKB1CD69
SCHEMBL25222586 0.90 BTK (0.44) BTKCRBNDGAT2KLKB1ATR
SCHEMBL25270141 0.90 BTK (0.44) BTKCRBNDGAT2KLKB1ATR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
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