SCHEMBL28653352

SCHEMBL28653352

NC(=O)c1ncc(N2CCC[C@@H](N3CCNC3=O)C2)nc1Nc1ccc(C2CCNCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.85
▸ LCK P06239 17/20 0.85
▸ EGFR P00533 8/20 0.80
▸ BTK Q06187 10/20 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
SCHEMBL16763828 0.92 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763871 0.92 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL24833610 0.91 JAK3 (0.87) JAK3LCKEGFRBTK
SCHEMBL21855226 0.90 JAK3 (0.79) JAK3LCKEGFRBTK
SCHEMBL24832883 0.90 JAK3 (0.82) JAK3LCKEGFRBTK
SCHEMBL29871796 0.89 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763889 0.89 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763891 0.89 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL24833232 0.86 JAK3 (0.78) JAK3LCKEGFRBTK
SCHEMBL21946364 0.85 JAK3 (0.73) 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 3 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
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 — — CN disclosed
Send feedback