SCHEMBL21947699

SCHEMBL21947699

NC(=O)c1ncc(N2CCCC(N3CCNC3=O)C2)nc1N

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.61
▸ LCK P06239 18/20 0.61
▸ BTK Q06187 7/20 0.50
▸ EGFR P00533 8/20 0.49

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
SCHEMBL25603500 0.83 JAK3 (0.69) JAK3LCKBTKEGFR
SCHEMBL18296292 0.79 BTK (0.55) JAK3LCKBTKEGFR
SCHEMBL28653352 0.78 JAK3 (0.85) JAK3LCKBTKEGFR
SCHEMBL16763828 0.77 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16763871 0.77 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL21946880 0.76 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL25598953 0.76 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL18296315 0.74 PLAU (0.43) BTK
SCHEMBL21946311 0.71 JAK3 (0.77) JAK3LCKBTKEGFR
SCHEMBL21946322 0.70 JAK3 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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