SCHEMBL21946911

SCHEMBL21946911

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 9/20 0.54
▸ JAK3 P52333 9/20 0.54
▸ BTK Q06187 6/20 0.52
▸ EGFR P00533 4/20 0.52
▸ SYK P43405 2/20 0.51
▸ CKS1B P61024 2/20 0.49
▸ SKP1 P63208 2/20 0.49
▸ SKP2 Q13309 2/20 0.49
▸ DDB1 Q16531 1/20 0.49
▸ CRBN Q96SW2 1/20 0.49
▸ TBK1 Q9UHD2 1/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ DGAT1 O75907 1/20 0.46

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
SCHEMBL24927490 0.91 LCK (0.59) LCKJAK3BTKEGFRSYK
SCHEMBL21946318 0.91 LCK (0.59) LCKJAK3BTKEGFRSYK
SCHEMBL21855164 0.91 LCK (0.59) LCKJAK3BTKEGFRSYK
SCHEMBL31039906 0.91 LCK (0.59) LCKJAK3BTKEGFRSYK
SCHEMBL23484941 0.85 JAK3 (0.71) LCKJAK3BTKEGFR
SCHEMBL21855190 0.85 JAK3 (0.68) LCKJAK3BTKEGFR
SCHEMBL21946887 0.85 JAK3 (0.64) LCKJAK3BTKEGFR
SCHEMBL23081217 0.85 LCK (0.61) LCKJAK3BTKEGFRSYK
SCHEMBL24926197 0.84 LCK (0.47) LCKJAK3BTKEGFRJAK2
SCHEMBL21946363 0.84 JAK3 (0.72) LCKJAK3BTKEGFR

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
Send feedback