SCHEMBL20184528

SCHEMBL20184528

C=C(C)C(=O)Nc1cccc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)c1F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.41
JAK1 P23458 1/20 0.39
BTK Q06187 1/20 0.36

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
SCHEMBL20184390 0.90 JAK3 (0.45) JAK3JAK1BTK
SCHEMBL20184606 0.83 JAK3 (0.55) JAK3JAK1
SCHEMBL20184360 0.82 JAK3 (0.60) JAK3JAK1
SCHEMBL20184330 0.81 JAK3 (0.59) JAK3JAK1
SCHEMBL16245166 0.79 JAK3 (0.58) JAK3JAK1
SCHEMBL20184516 0.79 JAK3 (0.52) JAK3
SCHEMBL20184684 0.79 JAK3 (0.60) JAK3JAK1
SCHEMBL20184404 0.79 JAK3 (0.59) JAK3JAK1
SCHEMBL20184605 0.78 JAK3 (0.59) JAK3JAK1
SCHEMBL20184524 0.78 JAK3 (0.59) JAK3JAK1

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