SCHEMBL28658109

SCHEMBL28658109

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C5CCN(C(=O)O)CC5)c4)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
▸ BTK Q06187 7/20 0.72
▸ EGFR P00533 10/20 0.63

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
SCHEMBL28658114 1.00 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL21855324 0.90 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL31039921 0.90 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL21855319 0.90 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL29264636 0.90 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL30012225 0.90 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL21946810 0.90 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL23459433 0.89 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL23459432 0.89 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL29872252 0.89 JAK3 (0.72) 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 1 patent. 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
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