SCHEMBL21946803

SCHEMBL21946803

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.64
▸ JAK3 P52333 19/20 0.64
▸ LCK P06239 18/20 0.64
▸ EGFR P00533 11/20 0.63

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
SCHEMBL30011960 1.00 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL21855407 0.96 JAK3 (0.67) BTKJAK3LCKEGFR
SCHEMBL21946730 0.94 JAK3 (0.67) BTKJAK3LCKEGFR
SCHEMBL21855223 0.93 JAK3 (0.68) BTKJAK3LCKEGFR
SCHEMBL21946276 0.91 JAK3 (0.71) BTKJAK3LCKEGFR
SCHEMBL21946802 0.90 JAK3 (0.60) BTKJAK3LCKEGFR
SCHEMBL30011366 0.90 JAK3 (0.60) BTKJAK3LCKEGFR
SCHEMBL25606470 0.89 JAK3 (0.71) BTKJAK3LCKEGFR
SCHEMBL21855157 0.87 JAK3 (0.74) BTKJAK3LCKEGFR
SCHEMBL30010772 0.86 BTK (0.64) BTKJAK3LCKEGFR

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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