SCHEMBL28856940

SCHEMBL28856940

Cn1cc(Nc2nc(N3CCCC(OC(N)=O)C3)cnc2C(N)=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.57
▸ JAK3 P52333 15/20 0.57
▸ LCK P06239 14/20 0.57
▸ EGFR P00533 8/20 0.54

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
SCHEMBL28856938 1.00 BTK (0.57) BTKJAK3LCKEGFR
SCHEMBL22346873 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346882 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL18296430 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL29871745 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL28856906 0.87 JAK3 (0.47) BTKJAK3LCKEGFR
SCHEMBL28856908 0.87 JAK3 (0.47) BTKJAK3LCKEGFR
SCHEMBL22346932 0.84 BTK (0.68) BTKJAK3LCKEGFR
SCHEMBL22346936 0.84 BTK (0.68) BTKJAK3LCKEGFR
SCHEMBL18296116 0.83 BTK (0.54) 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
CN-115003304-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 纽力克斯治疗公司 2022-09-02 — — CN disclosed
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