SCHEMBL28472769

SCHEMBL28472769

COC(=O)N1CCC(Nc2nc(Cl)nc3c2SCC3)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.42
▸ JAK3 P52333 4/20 0.42
▸ PDE4D Q08499 2/20 0.41
▸ MAPK3 P27361 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ BTK Q06187 1/20 0.32

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
SCHEMBL29489173 1.00 JAK2 (0.42) JAK2JAK3PDE4DMAPK3MEN1
SCHEMBL29489172 1.00 JAK2 (0.42) JAK2JAK3PDE4DMAPK3MEN1
SCHEMBL23084516 1.00 JAK2 (0.42) JAK2JAK3PDE4DMAPK3MEN1
SCHEMBL21098225 1.00 JAK2 (0.42) JAK2JAK3PDE4DMAPK3MEN1
SCHEMBL21098275 0.94 JAK3 (0.41) JAK2JAK3PDE4DMAPK3KMT2A
SCHEMBL21098279 0.94 JAK3 (0.41) JAK2JAK3PDE4DMAPK3KMT2A
SCHEMBL29489171 0.94 JAK3 (0.41) JAK2JAK3PDE4DMAPK3KMT2A
SCHEMBL23084452 0.94 JAK3 (0.41) JAK2JAK3PDE4DMAPK3KMT2A
SCHEMBL29489168 0.94 JAK3 (0.41) JAK2JAK3PDE4DMAPK3KMT2A
SCHEMBL20851937 0.89 JAK3 (0.40) JAK2JAK3MAPK3MEN1KMT2A

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-111712502-B Substituted azetidine dihydro-thienopyrimidines and their use as phosphodiesterase inhibitors 联合疗法公司 2023-10-27 — — CN disclosed
CN-111712502-A Substituted azetidine dihydrothienopyrimidines and their use as phosphodiesterase inhibitors 利奥制药有限公司 2020-09-25 — — CN disclosed
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