SCHEMBL20184355

SCHEMBL20184355

C=C(C)C(=O)Nc1ccc(C#N)c(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.47
HSP90AB1 P08238 1/20 0.44
JAK1 P23458 1/20 0.41
BAZ1A Q9NRL2 1/20 0.35

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
SCHEMBL20184360 0.87 JAK3 (0.60) JAK3HSP90AB1JAK1
SCHEMBL20184514 0.84 JAK3 (0.61) JAK3HSP90AB1JAK1
SCHEMBL20184697 0.84 JAK3 (0.58) JAK3JAK1
SCHEMBL20184568 0.81 JAK3 (0.61) JAK3HSP90AB1JAK1
SCHEMBL16245166 0.81 JAK3 (0.58) JAK3JAK1
SCHEMBL20184444 0.77 JAK3 (0.59) JAK3JAK1
SCHEMBL20184390 0.76 JAK3 (0.45) JAK3JAK1
SCHEMBL20184529 0.76 JAK3 (0.59) JAK3JAK1
SCHEMBL16245433 0.76 JAK3 (0.77) JAK3JAK1
SCHEMBL20184528 0.76 JAK3 (0.41) 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