SCHEMBL21855197

SCHEMBL21855197

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCC6CCN(C(=O)O)CC6C5)cc4)n3)C2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.74
▸ LCK P06239 18/20 0.74
▸ BTK Q06187 4/20 0.74
▸ EGFR P00533 10/20 0.67

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
SCHEMBL21946348 0.91 JAK3 (0.66) JAK3LCKBTKEGFR
SCHEMBL21855227 0.90 JAK3 (0.79) JAK3LCKBTKEGFR
SCHEMBL26133520 0.88 JAK3 (0.74) JAK3LCKBTKEGFR
SCHEMBL26133515 0.88 JAK3 (0.74) JAK3LCKBTKEGFR
SCHEMBL23459983 0.88 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL21855196 0.88 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL21855157 0.87 JAK3 (0.74) JAK3LCKBTKEGFR
SCHEMBL21855343 0.87 JAK3 (0.76) JAK3LCKBTKEGFR
SCHEMBL31039892 0.87 JAK3 (0.76) JAK3LCKBTKEGFR
SCHEMBL21855342 0.87 JAK3 (0.76) 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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