SCHEMBL21946347

SCHEMBL21946347

CC(C)(C)OC(=O)N1CCC2CCN(c3ccc(Nc4nc(N5CCCCC5)cnc4C(N)=O)cc3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.56
▸ LCK P06239 14/20 0.56
▸ BTK Q06187 11/20 0.55
▸ EGFR P00533 5/20 0.53
▸ GPR119 Q8TDV5 1/20 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
SCHEMBL21946348 0.88 JAK3 (0.66) JAK3LCKBTKEGFR
SCHEMBL21855164 0.87 LCK (0.59) JAK3LCKBTKEGFR
SCHEMBL31039906 0.87 LCK (0.59) JAK3LCKBTKEGFR
SCHEMBL21946318 0.87 LCK (0.59) JAK3LCKBTKEGFR
SCHEMBL24927490 0.87 LCK (0.59) JAK3LCKBTKEGFR
SCHEMBL23484941 0.85 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21946887 0.84 JAK3 (0.64) JAK3LCKBTKEGFR
SCHEMBL21946907 0.84 LCK (0.54) JAK3LCKBTKEGFR
SCHEMBL21946363 0.84 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL30448210 0.84 JAK3 (0.72) 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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