SCHEMBL22623596

SCHEMBL22623596

C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(CC(C)C)c3)nc3[nH]ccc23)C1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.87
BTK Q06187 18/20 0.87

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
SCHEMBL22496949 0.93 JAK3 (1.00) JAK3BTK
SCHEMBL22496952 0.93 JAK3 (1.00) JAK3BTK
SCHEMBL22496655 0.91 JAK3 (1.00) JAK3BTK
SCHEMBL22496659 0.91 JAK3 (1.00) JAK3BTK
SCHEMBL22496619 0.89 JAK3 (1.00) JAK3BTK
SCHEMBL22496621 0.89 JAK3 (1.00) JAK3BTK
SCHEMBL22497119 0.89 JAK3 (1.00) JAK3BTK
SCHEMBL22497121 0.89 JAK3 (1.00) JAK3BTK
SCHEMBL22497023 0.88 JAK3 (1.00) JAK3BTK
SCHEMBL22497027 0.88 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-3733674-A1 AMINO-METHYL PIPERIDINE DERIVATIVE AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2020-11-04 EP disclosed