SCHEMBL30160954

SCHEMBL30160954

CN1C(=O)N(C2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C5CCNCC5)cc4)n3)C2)CC12CC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.59
▸ LCK P06239 18/20 0.59
▸ EGFR P00533 9/20 0.59
▸ BTK Q06187 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
SCHEMBL24834091 1.00 JAK3 (0.59) JAK3LCKEGFRBTK
SCHEMBL30160717 0.98 JAK3 (0.59) JAK3LCKEGFRBTK
SCHEMBL24834094 0.98 JAK3 (0.59) JAK3LCKEGFRBTK
SCHEMBL24833232 0.88 JAK3 (0.78) JAK3LCKEGFRBTK
SCHEMBL24833619 0.87 JAK3 (0.77) JAK3LCKEGFRBTK
SCHEMBL30161275 0.87 JAK3 (0.77) JAK3LCKEGFRBTK
SCHEMBL24833235 0.86 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL24832887 0.86 JAK3 (0.66) JAK3LCKEGFRBTK
SCHEMBL24833625 0.86 JAK3 (0.66) JAK3LCKEGFRBTK
SCHEMBL24832889 0.86 JAK3 (0.66) 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
WO-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO disclosed
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