SCHEMBL20184339

SCHEMBL20184339

C=C(C)C(=O)Nc1cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)ccc1CN(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.62
JAK1 P23458 1/20 0.38

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
SCHEMBL20184605 0.91 JAK3 (0.59) JAK3JAK1
SCHEMBL20184560 0.87 JAK3 (0.61) JAK3JAK1
SCHEMBL20184404 0.87 JAK3 (0.59) JAK3JAK1
SCHEMBL20184684 0.87 JAK3 (0.60) JAK3JAK1
SCHEMBL20184330 0.86 JAK3 (0.59) JAK3JAK1
SCHEMBL20184524 0.86 JAK3 (0.59) JAK3JAK1
SCHEMBL20184505 0.85 JAK3 (0.80) JAK3JAK1
SCHEMBL20184490 0.84 JAK3 (0.61) JAK3JAK1
SCHEMBL20184333 0.84 JAK3 (0.61) JAK3JAK1
SCHEMBL20184514 0.83 JAK3 (0.61) JAK3JAK1

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