SCHEMBL22358872

SCHEMBL22358872

C[S+]([O-])c1ccc(Nc2nc(N3CCCC(NC(=O)C4CCC5(CCNCC5)CC4)C3)cnc2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.59
▸ JAK3 P52333 17/20 0.59
▸ LCK P06239 13/20 0.59
▸ EGFR P00533 8/20 0.59

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
SCHEMBL22358870 0.90 JAK3 (0.69) BTKJAK3LCKEGFR
SCHEMBL24411759 0.90 JAK3 (0.69) BTKJAK3LCKEGFR
SCHEMBL22358893 0.90 BTK (0.61) BTKJAK3LCKEGFR
SCHEMBL22359012 0.89 BTK (0.61) BTKJAK3LCKEGFR
SCHEMBL22359054 0.89 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346853 0.87 BTK (0.58) BTKJAK3LCKEGFR
SCHEMBL22359055 0.85 BTK (0.58) BTKJAK3LCKEGFR
SCHEMBL22358867 0.84 JAK3 (0.66) BTKJAK3LCKEGFR
SCHEMBL22359027 0.84 BTK (0.55) BTKJAK3LCKEGFR
SCHEMBL22346908 0.82 JAK3 (0.75) 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-2020167518-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-08-20 — — WO disclosed
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