SCHEMBL20184437

SCHEMBL20184437

N#Cc1ncnc(Nc2cccc(-c3ncnc4[nH]cc(C(=O)O)c34)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.47
JAK2 O60674 7/20 0.47
JAK1 P23458 1/20 0.45

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
SCHEMBL20184520 0.87 JAK3 (0.41) JAK3JAK2JAK1
SCHEMBL15032772 0.87 JAK3 (0.64) JAK3JAK2JAK1
SCHEMBL20184324 0.84 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184448 0.82 JAK3 (0.46) JAK3JAK2JAK1
SCHEMBL20184335 0.81 JAK3 (0.48) JAK3JAK2JAK1
SCHEMBL20184703 0.80 LRRK2 (0.53) JAK3JAK2
SCHEMBL20184365 0.79 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL20184371 0.78 JAK3 (0.45) JAK3JAK2JAK1
SCHEMBL20184429 0.78 JAK3 (0.54) JAK3JAK2JAK1
SCHEMBL15013927 0.76 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