SCHEMBL31039917

SCHEMBL31039917

Cn1ccn([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CC6(CN(C(=O)OC(C)(C)C)C6)C5)cc4)n3)C2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 18/20 0.51
▸ JAK3 P52333 18/20 0.51
▸ EGFR P00533 10/20 0.51
▸ BTK Q06187 8/20 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
SCHEMBL31039885 0.95 BTK (0.52) LCKJAK3EGFRBTK
SCHEMBL21855223 0.88 JAK3 (0.68) LCKJAK3EGFRBTK
SCHEMBL31039887 0.85 JAK3 (0.56) LCKJAK3EGFRBTK
SCHEMBL21855407 0.83 JAK3 (0.67) LCKJAK3EGFRBTK
SCHEMBL21946730 0.82 JAK3 (0.67) LCKJAK3EGFRBTK
SCHEMBL29264612 0.82 JAK3 (0.56) LCKJAK3EGFRBTK
SCHEMBL21946803 0.81 BTK (0.64) LCKJAK3EGFRBTK
SCHEMBL30011960 0.81 BTK (0.64) LCKJAK3EGFRBTK
SCHEMBL21946276 0.80 JAK3 (0.71) LCKJAK3EGFRBTK
SCHEMBL31039874 0.80 JAK3 (0.46) LCKJAK3EGFRBTK

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
Send feedback