SCHEMBL31039877

SCHEMBL31039877

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cccc(N)c4)n3)C2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.86
▸ LCK P06239 18/20 0.86
▸ BTK Q06187 4/20 0.86
▸ EGFR P00533 10/20 0.71

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
SCHEMBL21947754 1.00 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL21855218 1.00 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL28642920 1.00 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL16765130 0.92 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16765129 0.92 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL25593701 0.92 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL24926172 0.92 JAK3 (0.81) JAK3LCKBTKEGFR
SCHEMBL25593697 0.90 JAK3 (0.77) JAK3LCKBTKEGFR
SCHEMBL25593915 0.90 JAK3 (0.77) JAK3LCKBTKEGFR
SCHEMBL25649436 0.88 JAK3 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955473-A Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-11-15 — — CN disclosed
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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