SCHEMBL25254780

SCHEMBL25254780

Cc1cc(-c2ccncc2N2CCCC(N(C)C(=O)O)C2)ccc1CNC(=O)c1coc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.37
▸ DGAT2 Q96PD7 3/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL25211202 0.92 BTK (0.38) BTKDGAT2
SCHEMBL29418556 0.92 PIK3CD (0.40) BTKDGAT2SCN10ALCKROCK2
SCHEMBL29418388 0.92 BTK (0.38) BTKDGAT2
SCHEMBL25251255 0.89 BTK (0.45) BTKDGAT2LCK
SCHEMBL25267962 0.89 BTK (0.42) BTKDGAT2SCN10AROCK2ATR
SCHEMBL30599773 0.88 BTK (0.38) BTKDGAT2SCN10AROCK2
Hydrochloric Acid SCHEMBL29418367 0.87 BTK (0.38) BTKDGAT2SCN10AROCK2
Hydrochloric Acid SCHEMBL25269108 0.87 BTK (0.38) BTKDGAT2SCN10AROCK2
SCHEMBL25240201 0.86 BTK (0.44) BTKDGAT2LCK
SCHEMBL25270142 0.85 DGAT2 (0.36) BTKDGAT2ROCK2ATR

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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