SCHEMBL20184352

SCHEMBL20184352

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.53
JAK2 O60674 7/20 0.53
JAK1 P23458 1/20 0.50

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
SCHEMBL16245125 0.86 JAK3 (0.73) JAK3JAK2JAK1
SCHEMBL20184706 0.82 JAK3 (0.40) JAK3JAK2JAK1
SCHEMBL20184473 0.82 JAK3 (0.53) JAK3JAK2
SCHEMBL20184691 0.81 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184430 0.80 JAK3 (0.60) JAK3JAK2JAK1
SCHEMBL15010792 0.80 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184458 0.80 JAK3 (0.71) JAK3JAK2JAK1
SCHEMBL20184349 0.79 JAK3 (0.75) JAK3JAK2JAK1
SCHEMBL20184381 0.79 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184347 0.79 JAK3 (0.62) 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 2 patents. 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
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed