SCHEMBL21855198

SCHEMBL21855198

CN1CCN([C@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCC6(CCNC6)CC5)cc4)n3)C2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.72
▸ LCK P06239 18/20 0.72
▸ EGFR P00533 11/20 0.72
▸ BTK Q06187 4/20 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
SCHEMBL31039896 1.00 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946913 1.00 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946912 1.00 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946804 0.96 JAK3 (0.71) JAK3LCKEGFRBTK
SCHEMBL31039891 0.96 JAK3 (0.71) JAK3LCKEGFRBTK
SCHEMBL21855217 0.96 JAK3 (0.71) JAK3LCKEGFRBTK
SCHEMBL23459572 0.96 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL21855158 0.96 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL21855246 0.95 JAK3 (0.74) JAK3LCKEGFRBTK
SCHEMBL21855161 0.91 JAK3 (0.74) 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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