SCHEMBL29264652

SCHEMBL29264652

Cn1ccn([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCNCC5)cn4)n3)C2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.53
▸ LCK P06239 17/20 0.53
▸ EGFR P00533 9/20 0.53
▸ BTK Q06187 6/20 0.51

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
SCHEMBL21855214 0.87 JAK3 (0.70) JAK3LCKEGFRBTK
SCHEMBL29199693 0.83 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL29199692 0.83 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL29264612 0.82 JAK3 (0.56) JAK3LCKEGFRBTK
SCHEMBL29264631 0.82 JAK3 (0.66) JAK3LCKEGFRBTK
SCHEMBL31039900 0.81 JAK3 (0.67) JAK3LCKEGFRBTK
SCHEMBL21946745 0.81 CDK4 (0.49) JAK3LCKEGFRBTK
SCHEMBL31039885 0.77 BTK (0.52) JAK3LCKEGFRBTK
SCHEMBL21855188 0.77 JAK3 (0.82) JAK3LCKEGFRBTK
SCHEMBL20539779 0.77 LCK (0.49) 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-B Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-07-16 — — CN disclosed
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