SCHEMBL21946802

SCHEMBL21946802

CN1CCN([C@@H]2CCCN(c3cnc(C#N)c(Nc4ccc(N5CCC6(CCCN(C(=O)OC(C)(C)C)C6)CC5)cc4)n3)C2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.60
▸ LCK P06239 17/20 0.54
▸ BTK Q06187 5/20 0.54
▸ EGFR P00533 10/20 0.53

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
SCHEMBL30011366 1.00 JAK3 (0.60) JAK3LCKBTKEGFR
SCHEMBL21946352 0.96 JAK3 (0.63) JAK3LCKBTKEGFR
SCHEMBL21855211 0.94 JAK3 (0.66) JAK3LCKBTKEGFR
SCHEMBL30011108 0.92 JAK3 (0.61) JAK3LCKBTKEGFR
SCHEMBL21855245 0.91 JAK3 (0.55) JAK3LCKBTKEGFR
SCHEMBL21946733 0.90 JAK3 (0.64) JAK3LCKBTKEGFR
SCHEMBL30011960 0.90 BTK (0.64) JAK3LCKBTKEGFR
SCHEMBL21946803 0.90 BTK (0.64) JAK3LCKBTKEGFR
SCHEMBL25603497 0.88 JAK3 (0.62) JAK3LCKBTKEGFR
SCHEMBL21855187 0.88 JAK3 (0.57) 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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