SCHEMBL29418357

SCHEMBL29418357

C=CC(=O)N1CCC[C@H](c2cnccc2-c2ccc(CNC(=O)c3noc(C4(C)CC4)n3)c(C)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.37
▸ JAK3 P52333 2/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ITK Q08881 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
SCHEMBL25218299 1.00 BTK (0.37) BTKJAK3DGAT2EGFRITK
SCHEMBL25241802 1.00 BTK (0.37) BTKJAK3DGAT2EGFRITK
SCHEMBL29418673 1.00 BTK (0.37) BTKJAK3DGAT2EGFRITK
SCHEMBL29418562 1.00 BTK (0.37) BTKJAK3DGAT2EGFRITK
SCHEMBL25241804 1.00 BTK (0.37) BTKJAK3DGAT2EGFRITK
SCHEMBL25241812 0.89 BTK (0.45) BTKJAK3EGFRITK
SCHEMBL29418368 0.89 BTK (0.45) BTKJAK3EGFRITK
SCHEMBL25217477 0.89 BTK (0.45) BTKJAK3EGFRITK
SCHEMBL29418572 0.89 BTK (0.45) BTKJAK3EGFRITK
SCHEMBL29418335 0.89 BTK (0.45) BTKJAK3EGFRITK

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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