SCHEMBL20184542

SCHEMBL20184542

C/C=C(\C)C(=O)Nc1cccc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.48
JAK1 P23458 1/20 0.47
JAK2 O60674 3/20 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
SCHEMBL20184552 0.93 JAK3 (0.51) JAK3JAK1JAK2
SCHEMBL20184543 0.91 JAK3 (0.46) JAK3JAK1JAK2
SCHEMBL16245166 0.90 JAK3 (0.58) JAK3JAK1JAK2
SCHEMBL16245095 0.89 JAK3 (0.62) JAK3JAK1JAK2
SCHEMBL16245093 0.89 JAK3 (0.62) JAK3JAK1JAK2
SCHEMBL20184507 0.89 JAK3 (0.46) JAK3JAK1JAK2
SCHEMBL20184402 0.89 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184521 0.87 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184508 0.87 JAK3 (0.59) JAK3JAK1JAK2
SCHEMBL20184680 0.87 JAK3 (0.49) 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