SCHEMBL20184568

SCHEMBL20184568

C=C(C)C(=O)Nc1cc(C#N)cc(-c2nc(CC)nc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.61
JAK1 P23458 1/20 0.41
GPR35 Q9HC97 1/20 0.37
HSP90AB1 P08238 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
SCHEMBL20184444 0.87 JAK3 (0.59) JAK3JAK1
SCHEMBL20184529 0.86 JAK3 (0.59) JAK3JAK1
SCHEMBL16245166 0.83 JAK3 (0.58) JAK3JAK1
SCHEMBL20184608 0.83 JAK3 (0.77) JAK3JAK1
SCHEMBL20184514 0.81 JAK3 (0.61) JAK3JAK1HSP90AB1
SCHEMBL20184355 0.81 JAK3 (0.47) JAK3JAK1HSP90AB1
SCHEMBL20184677 0.79 F11 (0.43) JAK3HSP90AB1
SCHEMBL20184329 0.79 HSP90AB1 (0.46) JAK3JAK1HSP90AB1
SCHEMBL20184524 0.78 JAK3 (0.59) JAK3JAK1
SCHEMBL20184360 0.77 JAK3 (0.60) JAK3JAK1HSP90AB1

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