SCHEMBL22358885

SCHEMBL22358885

C[S+]([O-])c1ccc(Nc2nc(N3CCCC(NC(=O)N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)C3)cnc2C(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.61
▸ LCK P06239 14/20 0.61
▸ BTK Q06187 14/20 0.59
▸ EGFR P00533 9/20 0.58

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
SCHEMBL22358884 0.91 JAK3 (0.76) JAK3LCKBTKEGFR
SCHEMBL22359002 0.89 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL22358867 0.88 JAK3 (0.66) JAK3LCKBTKEGFR
SCHEMBL22359248 0.84 JAK3 (0.81) JAK3LCKBTKEGFR
SCHEMBL22358872 0.80 BTK (0.59) JAK3LCKBTKEGFR
SCHEMBL16763738 0.79 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL16763736 0.79 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL22359001 0.79 JAK3 (0.79) JAK3LCKBTKEGFR
SCHEMBL22358893 0.79 BTK (0.61) JAK3LCKBTKEGFR
SCHEMBL22346476 0.78 JAK3 (0.82) JAK3LCKBTKEGFR

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
WO-2020167518-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-08-20 — — WO disclosed
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