SCHEMBL31039887

SCHEMBL31039887

Cn1ccn([C@@H]2CCCN(c3cnc(C#N)c(Nc4ccc(N5CCC6(CC5)CN(C(=O)OC(C)(C)C)C6)cc4)n3)C2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.56
▸ LCK P06239 15/20 0.56
▸ EGFR P00533 7/20 0.56
▸ BTK Q06187 7/20 0.53
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39

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
SCHEMBL31039885 0.90 BTK (0.52) JAK3LCKEGFRBTK
SCHEMBL21946352 0.89 JAK3 (0.63) JAK3LCKEGFRBTK
SCHEMBL21855211 0.86 JAK3 (0.66) JAK3LCKEGFRBTK
SCHEMBL31039917 0.85 LCK (0.51) JAK3LCKEGFRBTK
SCHEMBL30011366 0.85 JAK3 (0.60) JAK3LCKEGFRBTK
SCHEMBL21946802 0.85 JAK3 (0.60) JAK3LCKEGFRBTK
SCHEMBL21946354 0.84 JAK3 (0.56) JAK3LCKEGFRBTKCCND3
SCHEMBL30011108 0.83 JAK3 (0.61) JAK3LCKEGFRBTK
SCHEMBL21946733 0.81 JAK3 (0.64) JAK3LCKEGFRBTK
SCHEMBL25603497 0.80 JAK3 (0.62) 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 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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