SCHEMBL21855138

SCHEMBL21855138

CN1CCN([C@@H]2CCCN(c3cnc(C#N)c(Nc4ccc(C5CN(C(=O)O)C5)cc4)n3)C2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.62
▸ LCK P06239 18/20 0.62
▸ EGFR P00533 8/20 0.62
▸ BTK Q06187 7/20 0.62

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
SCHEMBL21855194 0.95 JAK3 (0.65) JAK3LCKEGFRBTK
SCHEMBL21855180 0.90 JAK3 (0.60) JAK3LCKEGFRBTK
SCHEMBL21855409 0.90 JAK3 (0.65) JAK3LCKEGFRBTK
SCHEMBL28639750 0.89 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL28639751 0.89 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL21855207 0.89 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL21855142 0.88 JAK3 (0.57) JAK3LCKEGFRBTK
SCHEMBL21855183 0.88 JAK3 (0.57) JAK3LCKEGFRBTK
SCHEMBL21855175 0.88 JAK3 (0.69) JAK3LCKEGFRBTK
SCHEMBL21946793 0.87 JAK3 (0.71) JAK3LCKEGFRBTK

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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