SCHEMBL28642834

SCHEMBL28642834

CN1CCN([C@@H]2CCCN(c3cnc(C#N)c(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)n3)C2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.60
▸ LCK P06239 17/20 0.56
▸ BTK Q06187 5/20 0.56
▸ EGFR P00533 9/20 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
SCHEMBL30011487 0.94 JAK3 (0.62) JAK3LCKBTKEGFR
SCHEMBL21946733 0.92 JAK3 (0.64) JAK3LCKBTKEGFR
SCHEMBL21855142 0.90 JAK3 (0.57) JAK3LCKBTKEGFR
SCHEMBL21946793 0.89 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL29931224 0.89 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21855409 0.89 JAK3 (0.65) JAK3LCKBTKEGFR
SCHEMBL21855190 0.88 JAK3 (0.68) JAK3LCKBTKEGFR
SCHEMBL30011108 0.88 JAK3 (0.61) JAK3LCKBTKEGFR
SCHEMBL24926138 0.87 JAK3 (0.79) JAK3LCKBTKEGFR
SCHEMBL21855375 0.87 JAK3 (0.58) JAK3LCKBTKEGFR

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-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