SCHEMBL21946782

SCHEMBL21946782

CN1CCN([C@@H]2CCCN(c3cnc(C(N)O)c(Nc4ccc(C5CCNCC5)cc4)n3)C2)C1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.77
▸ LCK P06239 18/20 0.77
▸ EGFR P00533 9/20 0.77
▸ BTK Q06187 7/20 0.64

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
SCHEMBL29871796 0.87 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763891 0.87 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763889 0.87 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL25593819 0.85 JAK3 (0.56) JAK3LCKEGFRBTK
SCHEMBL24926342 0.84 JAK3 (0.55) JAK3LCKEGFRBTK
SCHEMBL25593706 0.84 JAK3 (0.55) JAK3LCKEGFRBTK
SCHEMBL20867721 0.81 JAK3 (0.89) JAK3LCKEGFRBTK
SCHEMBL24891001 0.80 JAK3 (0.88) JAK3LCKEGFRBTK
SCHEMBL25606430 0.80 JAK3 (0.86) JAK3LCKEGFRBTK
SCHEMBL24833053 0.80 JAK3 (0.51) 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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