SCHEMBL21855143

SCHEMBL21855143

CC(C)(C)N1CCC(c2ccc(Nc3nc(N4CC[N+](C)([O-])CC4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.55
▸ BTK Q06187 16/20 0.55
▸ LCK P06239 17/20 0.54
▸ EGFR P00533 9/20 0.54

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
SCHEMBL25183511 0.89 JAK3 (0.56) JAK3BTKLCKEGFR
SCHEMBL30448850 0.88 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL18884500 0.78 LCK (0.77) JAK3BTKLCKEGFR
SCHEMBL18884597 0.78 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL25606965 0.77 JAK3 (0.67) JAK3BTKLCKEGFR
SCHEMBL30448210 0.77 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL21946363 0.77 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL18884497 0.77 JAK3 (0.68) JAK3BTKLCKEGFR
SCHEMBL18884528 0.77 JAK3 (0.73) JAK3BTKLCKEGFR
SCHEMBL21855160 0.77 JAK3 (0.66) JAK3BTKLCKEGFR

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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