SCHEMBL21371985

SCHEMBL21371985

CS(=O)(=O)C1CN(C2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL1272627 0.78 KDM4E (0.42) IRAK4ALDH1A1KDM4EALOX15
SCHEMBL21372227 0.76 KDM4E (0.36) ALDH1A1KDM4EALOX15
SCHEMBL24854184 0.76 ATM (0.32) IRAK4
SCHEMBL20635764 0.75 APLNR (0.35)
SCHEMBL24311028 0.75 JAK2 (0.36) IRAK4
SCHEMBL8318850 0.70
SCHEMBL20457992 0.70 JAK1 (0.32)
SCHEMBL28642774 0.70 CTSL (0.30) ACHE
SCHEMBL5151012 0.70 KDM4E (0.33) ALDH1A1KDM4EALOX15
SCHEMBL20715341 0.69

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
EP-3180344-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER (US) 2019-09-18 EP disclosed