SCHEMBL31039897

SCHEMBL31039897

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc5c(c4)CCNC5)n3)C2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.72
▸ LCK P06239 18/20 0.72
▸ EGFR P00533 12/20 0.72
▸ BTK Q06187 4/20 0.70

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
SCHEMBL26166675 1.00 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL21946277 1.00 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL25593916 0.97 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL25593968 0.94 JAK3 (0.74) JAK3LCKEGFRBTK
SCHEMBL24833229 0.93 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL24833225 0.91 JAK3 (0.60) JAK3LCKEGFRBTK
SCHEMBL25593703 0.88 JAK3 (0.75) JAK3LCKEGFRBTK
SCHEMBL24926342 0.88 JAK3 (0.55) JAK3LCKEGFRBTK
SCHEMBL24833631 0.88 JAK3 (0.55) JAK3LCKEGFRBTK
SCHEMBL30165861 0.88 JAK3 (0.55) 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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