SCHEMBL20184356

SCHEMBL20184356

C=C(F)C(=O)Nc1cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.51
JAK2 O60674 2/20 0.37
HSP90AB1 P08238 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
SCHEMBL20184684 0.92 JAK3 (0.60) JAK3
SCHEMBL20184676 0.91 JAK3 (0.59) JAK3JAK2
SCHEMBL20184586 0.86 JAK3 (0.60) JAK3JAK2HSP90AB1
SCHEMBL20184424 0.84 JAK3 (0.59) JAK3JAK2
SCHEMBL20184330 0.83 JAK3 (0.59) JAK3
SCHEMBL20184378 0.83 JAK3 (0.66) JAK3JAK2
SCHEMBL20184404 0.82 JAK3 (0.59) JAK3
SCHEMBL20184464 0.82 JAK3 (0.39) JAK3JAK2HSP90AB1
SCHEMBL20184605 0.81 JAK3 (0.59) JAK3JAK2
SCHEMBL20184524 0.81 JAK3 (0.59) JAK3

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