SCHEMBL29418539

SCHEMBL29418539

C=CC(=O)N(C)C1CCCN(c2cnccc2-c2ccc(CNC(=O)c3cc(C(C)(C)C)on3)c(C)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.40
▸ DGAT2 Q96PD7 2/20 0.36
▸ ROCK2 O75116 2/20 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
SCHEMBL25249361 1.00 BTK (0.40) BTKDGAT2ROCK2
SCHEMBL25267962 0.92 BTK (0.42) BTKDGAT2ROCK2
SCHEMBL29418625 0.91 BTK (0.41) BTKDGAT2ROCK2
SCHEMBL25254803 0.91 BTK (0.41) BTKDGAT2ROCK2
SCHEMBL29418646 0.90 BTK (0.41) BTKDGAT2ROCK2
SCHEMBL29418623 0.90 BTK (0.41) BTKDGAT2ROCK2
SCHEMBL25211202 0.89 BTK (0.38) BTKDGAT2
SCHEMBL29418388 0.89 BTK (0.38) BTKDGAT2
SCHEMBL25270137 0.89 BTK (0.43) BTK
SCHEMBL25251063 0.89 BTK (0.41) BTKDGAT2ROCK2

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-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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