SCHEMBL30337769

SCHEMBL30337769

CC(C)(C)OC(=O)N1CCC1=CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.42
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ UCHL1 P09936 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL7405154 0.80 USP2 (0.40) CTSKUSP2SMN1; SMN2KDM1AUCHL1
SCHEMBL7405157 0.80 USP2 (0.40) CTSKUSP2SMN1; SMN2KDM1AUCHL1
SCHEMBL99227 0.75 GRM5 (0.53) CTSKUSP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL28973059 0.74 CTSK (0.38) CTSKUSP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL18572758 0.74 USP2 (0.35) CTSKUSP2SMN1; SMN2KDM1AUCHL1
SCHEMBL30803371 0.73 ESR2 (0.46) CTSKUSP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL14954612 0.73 ESR2 (0.46) CTSKUSP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL2558056 0.73 ESR2 (0.46) CTSKUSP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL31715308 0.72 USP2 (0.39) CTSKUSP2SMN1; SMN2KDM1AMEN1
SCHEMBL344121 0.71 USP2 (0.41) CTSKUSP2SMN1; SMN2MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317946-A Processes and intermediates for the preparation of baratinib 因赛特公司 2024-07-09 — — CN disclosed
CN-115836065-A Methods of making JAK1 inhibitors 因赛特公司 2023-03-21 — — CN disclosed
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