SCHEMBL28601840

SCHEMBL28601840

O=C(O)N1CCCC(Nc2nc(Cl)nc3[nH]ccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.55
JAK1 P23458 2/20 0.55
BTK Q06187 10/20 0.53

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
SCHEMBL28601837 1.00 JAK3 (0.55) JAK3JAK1BTK
SCHEMBL22497063 0.89 JAK3 (0.71) JAK3JAK1BTK
SCHEMBL22497066 0.89 JAK3 (0.71) JAK3JAK1BTK
SCHEMBL22497084 0.86 JAK3 (0.62) JAK3JAK1BTK
SCHEMBL22497082 0.86 JAK3 (0.62) JAK3JAK1BTK
SCHEMBL22496767 0.85 JAK1 (0.53) JAK3JAK1BTK
SCHEMBL29448466 0.85 JAK1 (0.53) JAK3JAK1BTK
SCHEMBL28596543 0.85 JAK1 (0.53) JAK3JAK1BTK
SCHEMBL28610634 0.83 BTK (0.53) JAK3BTK
SCHEMBL28610635 0.83 BTK (0.53) JAK3BTK

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-109311896-B Pyrazolopyrimidine derivatives as kinase inhibitors 株式会社大熊制药 2021-08-24 CN disclosed
CN-113135920-A Pyrazolopyrimidine derivatives as kinase inhibitors 株式会社大熊制药 2021-07-20 CN disclosed