SCHEMBL20184562

SCHEMBL20184562

CS(=O)(=O)c1ccc(-c2ncnc3[nH]cc(C(=O)O)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.54
JAK2 O60674 13/20 0.54
CHUK O15111 2/20 0.49
KIT P10721 2/20 0.48
ROCK2 O75116 1/20 0.47
LIMK1 P53667 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
IKBKB O14920 1/20 0.44

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
SCHEMBL20184701 0.84 JAK2 (0.61) JAK3JAK2KITROCK2LIMK1
SCHEMBL15032705 0.84 JAK3 (0.76) JAK3JAK2
SCHEMBL20184553 0.83 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184454 0.83 JAK3 (0.70) JAK3JAK2ROCK2LIMK1
SCHEMBL20184346 0.83 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184432 0.83 JAK3 (0.68) JAK3JAK2ROCK2LIMK1
SCHEMBL20184363 0.82 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184686 0.82 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184459 0.81 JAK2 (0.71) JAK3JAK2ROCK2LIMK1
SCHEMBL20184591 0.81 JAK2 (0.73) JAK3JAK2ROCK2LIMK1

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