SCHEMBL21946907

SCHEMBL21946907

CC(C)(C)OC(=O)N1CC2(CCN(c3ccc(Nc4nc(N5CCCCC5)cnc4C(N)=O)cc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 15/20 0.54
▸ BTK Q06187 11/20 0.54
▸ JAK3 P52333 18/20 0.52
▸ EGFR P00533 4/20 0.52

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
SCHEMBL21855164 0.91 LCK (0.59) LCKBTKJAK3EGFR
SCHEMBL21946318 0.91 LCK (0.59) LCKBTKJAK3EGFR
SCHEMBL24927490 0.91 LCK (0.59) LCKBTKJAK3EGFR
SCHEMBL31039906 0.91 LCK (0.59) LCKBTKJAK3EGFR
SCHEMBL21946354 0.87 JAK3 (0.56) LCKBTKJAK3EGFR
SCHEMBL21855407 0.85 JAK3 (0.67) LCKBTKJAK3EGFR
SCHEMBL21946347 0.84 JAK3 (0.56) LCKBTKJAK3EGFR
SCHEMBL31039885 0.84 BTK (0.52) LCKBTKJAK3EGFR
SCHEMBL21946887 0.84 JAK3 (0.64) LCKBTKJAK3EGFR
SCHEMBL18884637 0.84 BTK (0.64) LCKBTKJAK3EGFR

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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