SCHEMBL20184473

SCHEMBL20184473

Cc1ccc(-c2ncnc3[nH]cc(C(=O)O)c23)cc1NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.53
JAK2 O60674 14/20 0.52

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
SCHEMBL15032743 0.89 JAK3 (0.69) JAK3JAK2
SCHEMBL20184464 0.83 JAK3 (0.39) JAK3JAK2
SCHEMBL20184352 0.82 JAK3 (0.53) JAK3JAK2
SCHEMBL20184378 0.80 JAK3 (0.66) JAK3JAK2
SCHEMBL20184362 0.80 JAK3 (0.74) JAK3JAK2
SCHEMBL20184689 0.79 JAK3 (0.78) JAK3JAK2
SCHEMBL20184410 0.79 JAK3 (0.78) JAK3
SCHEMBL20184701 0.75 JAK2 (0.61) JAK3JAK2
SCHEMBL20184626 0.75 JAK3 (0.52) JAK3JAK2
SCHEMBL20184721 0.74 JAK3 (0.73) JAK3JAK2

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