SCHEMBL20184425

SCHEMBL20184425

CC(=O)CCC(=O)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
JAK1 P23458 1/20 0.58
JAK2 O60674 4/20 0.55

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
SCHEMBL15010792 0.89 JAK3 (0.62) JAK3JAK1JAK2
SCHEMBL15032939 0.88 JAK3 (0.76) JAK3JAK1JAK2
SCHEMBL20184429 0.84 JAK3 (0.54) JAK3JAK1JAK2
SCHEMBL20184431 0.84 JAK3 (0.81) JAK3JAK1JAK2
SCHEMBL20184594 0.83 JAK3 (0.43) JAK3JAK1JAK2
SCHEMBL20184675 0.83 JAK3 (0.63) JAK3JAK1JAK2
SCHEMBL20184537 0.83 JAK3 (0.65) JAK3JAK1JAK2
SCHEMBL20184364 0.82 JAK3 (0.77) JAK3JAK1JAK2
SCHEMBL20184453 0.82 JAK3 (0.68) JAK3JAK1JAK2
SCHEMBL20184341 0.81 JAK3 (0.80) JAK3JAK1JAK2

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