SCHEMBL21855227

SCHEMBL21855227

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCN(C(=O)O)CC5)cc4)n3)C2)C1=O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.79
▸ LCK P06239 18/20 0.79
▸ BTK Q06187 4/20 0.79
▸ EGFR P00533 10/20 0.71

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
SCHEMBL21855196 0.94 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL23459983 0.94 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL21855157 0.92 JAK3 (0.74) JAK3LCKBTKEGFR
SCHEMBL25605545 0.91 JAK3 (0.79) JAK3LCKBTKEGFR
SCHEMBL21855197 0.90 JAK3 (0.74) JAK3LCKBTKEGFR
SCHEMBL21855188 0.90 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL21946276 0.90 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL16763555 0.89 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL16764043 0.89 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL16765130 0.89 JAK3 (1.00) 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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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