SCHEMBL29872120

SCHEMBL29872120

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)n3)C2)C1=O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.78
▸ LCK P06239 18/20 0.78
▸ BTK Q06187 6/20 0.78
▸ EGFR P00533 9/20 0.76

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
SCHEMBL21855411 1.00 JAK3 (0.78) JAK3LCKBTKEGFR
SCHEMBL21946886 0.96 JAK3 (0.75) JAK3LCKBTKEGFR
SCHEMBL21946321 0.95 JAK3 (0.81) JAK3LCKBTKEGFR
SCHEMBL25606470 0.93 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL25606268 0.93 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21946276 0.91 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL24926203 0.90 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL20867721 0.90 JAK3 (0.89) JAK3LCKBTKEGFR
SCHEMBL25607907 0.89 JAK3 (0.88) JAK3LCKBTKEGFR
SCHEMBL25603844 0.89 JAK3 (0.88) 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
EP-4069237-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY Nurix Therapeutics, Inc. (US) 2022-10-12 — — EP disclosed
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