SCHEMBL20184366

SCHEMBL20184366

O=C(/C=C/c1ccoc1)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.59
JAK2 O60674 5/20 0.56
JAK1 P23458 1/20 0.46

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
SCHEMBL16245204 0.88 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL15032756 0.88 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL20184485 0.86 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184428 0.85 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184590 0.84 JAK3 (0.64) JAK3JAK2JAK1
SCHEMBL20184603 0.83 JAK3 (0.63) JAK3JAK2
SCHEMBL20184367 0.83 JAK3 (0.65) JAK3JAK2JAK1
SCHEMBL20184573 0.83 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184714 0.83 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184558 0.83 JAK3 (0.77) JAK3JAK2JAK1

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 claimed