SCHEMBL21098279

SCHEMBL21098279

COC(=O)N1CCCC(Nc2nc(Cl)nc3c2SCC3)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.41
▸ JAK2 O60674 6/20 0.41
▸ PDE4D Q08499 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ GFER P55789 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ EGFR P00533 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
SCHEMBL29489171 1.00 JAK3 (0.41) JAK3JAK2PDE4DTDP1GFER
SCHEMBL21098275 1.00 JAK3 (0.41) JAK3JAK2PDE4DTDP1GFER
SCHEMBL23084452 1.00 JAK3 (0.41) JAK3JAK2PDE4DTDP1GFER
SCHEMBL29489168 1.00 JAK3 (0.41) JAK3JAK2PDE4DTDP1GFER
SCHEMBL29489173 0.94 JAK2 (0.42) JAK3JAK2PDE4DTDP1KMT2A
SCHEMBL28472769 0.94 JAK2 (0.42) JAK3JAK2PDE4DTDP1KMT2A
SCHEMBL21098225 0.94 JAK2 (0.42) JAK3JAK2PDE4DTDP1KMT2A
SCHEMBL23084516 0.94 JAK2 (0.42) JAK3JAK2PDE4DTDP1KMT2A
SCHEMBL29489172 0.94 JAK2 (0.42) JAK3JAK2PDE4DTDP1KMT2A
SCHEMBL8256499 0.90 PIM1 (0.40) KMT2ABTK

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 3 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
WO-2019115774-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-06-20 — — WO disclosed
Send feedback