SCHEMBL20184429

SCHEMBL20184429

N#CCC(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.54
JAK2 O60674 4/20 0.53
JAK1 P23458 1/20 0.53

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
SCHEMBL15032740 0.87 JAK3 (0.73) JAK3JAK2JAK1
SCHEMBL15010792 0.87 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184365 0.86 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL20184425 0.84 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184694 0.83 JAK3 (0.47) JAK3JAK2JAK1
SCHEMBL20184477 0.81 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184457 0.81 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184492 0.80 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184544 0.80 JAK3 (0.69) JAK3JAK2JAK1
SCHEMBL20184703 0.80 LRRK2 (0.53) JAK3JAK2

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