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SCHEMBL30044235

SCHEMBL30044235

CNCCOc1c(N)ncnc1-c1ccc(CNC(=O)c2noc(C(C)(C)C)n2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.52
▸ PIK3CD O00329 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ TEC P42680 1/20 0.39
▸ TXK P42681 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ BMX P51813 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ LCK P06239 1/20 0.38

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
SCHEMBL23605460 1.00 BTK (0.52) BTKPIK3CDEGFRERBB2TEC
SCHEMBL23605459 0.86 BTK (0.48) BTKEGFRERBB2TECTXK
SCHEMBL30044690 0.86 BTK (0.48) BTKEGFRERBB2TECTXK
SCHEMBL30044532 0.85 BTK (0.56) BTKEGFRERBB2TECTXK
SCHEMBL23605865 0.85 BTK (0.56) BTKEGFRERBB2TECTXK
SCHEMBL23605656 0.85 BTK (0.50) BTKPIK3CDEGFRERBB2TEC
SCHEMBL30044317 0.85 BTK (0.50) BTKPIK3CDEGFRERBB2TEC
SCHEMBL23579182 0.85 BTK (0.51) BTKLCK
SCHEMBL23605462 0.78 BTK (0.56) BTKLCK
SCHEMBL30044254 0.78 BTK (0.56) BTKLCK

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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