SCHEMBL29418368

SCHEMBL29418368

C=CC(=O)N1CCC[C@H](c2cnccc2-c2ccc(CNC(=O)c3nc(C4(C)CC4)no3)c(C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.45
▸ JAK3 P52333 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ITK Q08881 2/20 0.34
▸ FGFR4 P22455 1/20 0.33
▸ TEC P42680 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
SCHEMBL29418572 1.00 BTK (0.45) BTKJAK3EGFRITKFGFR4
SCHEMBL25241812 1.00 BTK (0.45) BTKJAK3EGFRITKFGFR4
SCHEMBL29418335 1.00 BTK (0.45) BTKJAK3EGFRITKFGFR4
SCHEMBL25217477 1.00 BTK (0.45) BTKJAK3EGFRITKFGFR4
SCHEMBL30599745 0.89 BTK (0.45) BTK
SCHEMBL29124746 0.89 BTK (0.45) BTK
SCHEMBL29124691 0.89 BTK (0.45) BTK
SCHEMBL29124767 0.89 BTK (0.45) BTK
SCHEMBL30599711 0.89 BTK (0.45) BTK
SCHEMBL30599732 0.89 BTK (0.45) BTK

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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