SCHEMBL31039909

SCHEMBL31039909

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCC6(CCNCC6)CC5)nc4)n3)C2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.73
▸ LCK P06239 18/20 0.73
▸ EGFR P00533 11/20 0.73
▸ BTK Q06187 4/20 0.69

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
SCHEMBL21855219 0.93 JAK3 (0.78) JAK3LCKEGFRBTK
SCHEMBL23459572 0.92 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL21855158 0.92 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL21855248 0.91 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL25606430 0.89 JAK3 (0.86) JAK3LCKEGFRBTK
SCHEMBL21855198 0.88 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL31039896 0.88 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946913 0.88 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946912 0.88 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL30010772 0.88 BTK (0.64) JAK3LCKEGFRBTK

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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