SCHEMBL16798613

SCHEMBL16798613

CN1CCN(C2CCCN(c3nccnc3C(N)=O)C2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.55
▸ LCK P06239 18/20 0.55
▸ BTK Q06187 4/20 0.55
▸ EGFR P00533 10/20 0.49

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
SCHEMBL30161269 1.00 JAK3 (0.55) JAK3LCKBTKEGFR
SCHEMBL21946880 0.79 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL25598953 0.79 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL30165820 0.78 JAK3 (0.50) JAK3LCKBTKEGFR
SCHEMBL25603500 0.78 JAK3 (0.69) JAK3LCKBTKEGFR
SCHEMBL30165801 0.78 JAK3 (0.54) JAK3LCKBTKEGFR
SCHEMBL30165821 0.78 JAK3 (0.54) JAK3LCKBTKEGFR
SCHEMBL30165829 0.78 JAK3 (0.51) JAK3LCKBTKEGFR
SCHEMBL29931205 0.76 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL28647032 0.76 JAK3 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 — — EP disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
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