SCHEMBL29448481

SCHEMBL29448481

C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccn(CCN(CC)CC)n3)nc3[nH]ccc23)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.77
BTK Q06187 19/20 0.77

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
SCHEMBL22496703 0.87 JAK3 (1.00) JAK3BTK
SCHEMBL22496712 0.87 JAK3 (1.00) JAK3BTK
SCHEMBL22496851 0.81 JAK3 (1.00) JAK3BTK
SCHEMBL22496853 0.81 JAK3 (1.00) JAK3BTK
SCHEMBL22496655 0.78 JAK3 (1.00) JAK3BTK
SCHEMBL22496659 0.78 JAK3 (1.00) JAK3BTK
SCHEMBL22496753 0.77 JAK3 (0.74) JAK3BTK
SCHEMBL22496757 0.77 JAK3 (0.74) JAK3BTK
SCHEMBL22496760 0.77 JAK3 (1.00) JAK3BTK
SCHEMBL22497121 0.77 JAK3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950691-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2022-02-09 EP disclosed