SCHEMBL31039919

SCHEMBL31039919

Cn1ccn([C@@H]2CCCN(c3cnc(C(N)=O)cn3)C2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.41
▸ LCK P06239 15/20 0.41
▸ BTK Q06187 4/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EGFR P00533 9/20 0.38
▸ ADRA1A P35348 1/20 0.37

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
SCHEMBL31052405 0.84 LCK (0.35) JAK3LCKBTKEGFR
SCHEMBL31052385 0.84 LCK (0.35) JAK3LCKBTKEGFR
SCHEMBL28647032 0.81 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL29931205 0.81 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL30165882 0.79 LCK (0.40) JAK3LCKBTKHRH3EGFR
SCHEMBL30161265 0.79 JAK3 (0.46) JAK3LCKBTKHRH3EGFR
SCHEMBL30160837 0.79 JAK3 (0.51) JAK3LCKBTKEGFR
SCHEMBL30160933 0.78 JAK3 (0.42) JAK3LCKBTKHRH3EGFR
SCHEMBL30160867 0.78 JAK3 (0.42) JAK3LCKBTKHRH3EGFR
SCHEMBL30165812 0.78 FAAH (0.47) JAK3LCKBTKHRH3

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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