SCHEMBL31039885

SCHEMBL31039885

Cn1ccn([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCC6(CC5)CN(C(=O)OC(C)(C)C)C6)cc4)n3)C2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.52
▸ JAK3 P52333 18/20 0.52
▸ LCK P06239 17/20 0.52
▸ EGFR P00533 10/20 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
SCHEMBL31039917 0.95 LCK (0.51) BTKJAK3LCKEGFR
SCHEMBL31039887 0.90 JAK3 (0.56) BTKJAK3LCKEGFR
SCHEMBL21855407 0.88 JAK3 (0.67) BTKJAK3LCKEGFR
SCHEMBL21946730 0.85 JAK3 (0.67) BTKJAK3LCKEGFR
SCHEMBL30011960 0.85 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL21946803 0.85 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL21946907 0.84 LCK (0.54) BTKJAK3LCKEGFR
SCHEMBL21855223 0.83 JAK3 (0.68) BTKJAK3LCKEGFR
SCHEMBL29264612 0.81 JAK3 (0.56) BTKJAK3LCKEGFR
SCHEMBL21946276 0.81 JAK3 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955473-A Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-11-15 — — CN disclosed
CN-113412259-B Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-07-16 — — CN disclosed
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