SCHEMBL20195304

SCHEMBL20195304

C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1CN(C)C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.79
JAK2 O60674 4/20 0.68

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
SCHEMBL15032730 0.88 JAK3 (1.00) JAK3
SCHEMBL16245190 0.88 JAK3 (1.00) JAK3JAK2
SCHEMBL15032934 0.86 JAK3 (1.00) JAK3JAK2
SCHEMBL16245250 0.85 JAK3 (1.00) JAK3JAK2
SCHEMBL15032814 0.81 JAK3 (1.00) JAK3JAK2
SCHEMBL16245311 0.79 JAK3 (1.00) JAK3JAK2
SCHEMBL16245183 0.78 JAK3 (1.00) JAK3JAK2
SCHEMBL20184505 0.77 JAK3 (0.80) JAK3
SCHEMBL16245317 0.76 JAK3 (1.00) JAK3JAK2
SCHEMBL15009771 0.76 JAK3 (1.00) JAK3

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-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed