SCHEMBL30044561

SCHEMBL30044561

C=CC(=O)N(C)CCOc1cncnc1-c1ccc(CNC(=O)c2noc(C(C)(C)C)n2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.58
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42

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
SCHEMBL23605794 1.00 BTK (0.58) BTKEGFRERBB2TECTXK
SCHEMBL23605867 0.89 BTK (0.58) BTK
SCHEMBL30406999 0.89 BTK (0.58) BTK
SCHEMBL30407796 0.88 BTK (0.59) BTKEGFRERBB2TECTXK
SCHEMBL23605851 0.88 BTK (0.59) BTKEGFRERBB2TECTXK
SCHEMBL23605666 0.87 BTK (0.58) BTKEGFRERBB2TECTXK
SCHEMBL30044532 0.87 BTK (0.56) BTKEGFRERBB2TECTXK
SCHEMBL23605865 0.87 BTK (0.56) BTKEGFRERBB2TECTXK
SCHEMBL23605813 0.86 BTK (0.51) BTK
SCHEMBL30044972 0.86 BTK (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081514-A1 BTK INHIBITORS Biogen MA Inc. (US) 2022-11-02 — — EP disclosed
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