SCHEMBL28653131

SCHEMBL28653131

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc(N4CCC(F)(F)C(CO)C4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.63
▸ LCK P06239 17/20 0.63
▸ EGFR P00533 7/20 0.59
▸ BTK Q06187 15/20 0.55

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
SCHEMBL21855199 1.00 JAK3 (0.63) JAK3LCKEGFRBTK
SCHEMBL31039883 1.00 JAK3 (0.63) JAK3LCKEGFRBTK
SCHEMBL28639774 0.88 JAK3 (0.68) JAK3LCKEGFRBTK
SCHEMBL31039879 0.88 JAK3 (0.68) JAK3LCKEGFRBTK
SCHEMBL21855193 0.88 JAK3 (0.68) JAK3LCKEGFRBTK
SCHEMBL30011519 0.87 JAK3 (0.70) JAK3LCKEGFRBTK
SCHEMBL28653137 0.87 JAK3 (0.70) JAK3LCKEGFRBTK
SCHEMBL28653136 0.87 JAK3 (0.70) JAK3LCKEGFRBTK
SCHEMBL21946758 0.86 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL21855166 0.85 JAK3 (0.63) 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 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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