SCHEMBL21946809

SCHEMBL21946809

NC(=O)c1ncc(N2CCCC(CO)C2)nc1Nc1ccc(C2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.72
▸ LCK P06239 15/20 0.72
▸ BTK Q06187 12/20 0.72
▸ EGFR P00533 9/20 0.72

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
SCHEMBL21946806 1.00 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL21855216 1.00 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL25503760 0.91 JAK3 (0.69) JAK3LCKBTKEGFR
SCHEMBL21946759 0.89 JAK3 (0.64) JAK3LCKBTKEGFR
SCHEMBL31039901 0.89 JAK3 (0.64) JAK3LCKBTKEGFR
SCHEMBL31039881 0.89 JAK3 (0.73) JAK3LCKBTKEGFR
SCHEMBL21946364 0.89 JAK3 (0.73) JAK3LCKBTKEGFR
Hydrochloric Acid SCHEMBL25198852 0.88 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL21946711 0.88 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL24833610 0.85 JAK3 (0.87) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 — — CN disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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