SCHEMBL31039918

SCHEMBL31039918

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cc5n(n4)CCNC5)n3)C2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.65
▸ LCK P06239 18/20 0.65
▸ BTK Q06187 4/20 0.65
▸ EGFR P00533 12/20 0.64

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
SCHEMBL21855290 1.00 JAK3 (0.65) JAK3LCKBTKEGFR
SCHEMBL23484804 0.87 JAK3 (0.49) JAK3LCKBTKEGFR
Trifluoroacetic Acid SCHEMBL23460049 0.83 JAK3 (0.47) JAK3LCKBTKEGFR
SCHEMBL31039875 0.83 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL21855269 0.83 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL21946750 0.82 BTK (0.40) JAK3LCKBTKEGFR
SCHEMBL21855214 0.82 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL21855188 0.80 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL21946277 0.80 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL31039897 0.80 JAK3 (0.72) 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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