SCHEMBL20195259

SCHEMBL20195259

CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OC(C)(C)F)c3)c12

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.80
JAK2 O60674 14/20 0.80
JAK1 P23458 1/20 0.62

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
SCHEMBL15032882 0.94 JAK3 (0.82) JAK3JAK2JAK1
SCHEMBL20195260 0.92 JAK3 (0.88) JAK3JAK2JAK1
SCHEMBL15013940 0.89 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL15032700 0.89 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL16245362 0.87 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL15032692 0.84 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL15032564 0.84 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL15032739 0.83 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL15013911 0.83 JAK3 (0.82) JAK3JAK2JAK1
SCHEMBL15013967 0.83 JAK3 (1.00) JAK3JAK2JAK1

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 disclosed