SCHEMBL20184359

SCHEMBL20184359

COc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.60
JAK2 O60674 13/20 0.60
ROCK2 O75116 1/20 0.55
LIMK1 P53667 1/20 0.55
JAK1 P23458 1/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49

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
SCHEMBL20184496 0.86 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184546 0.86 JAK3 (0.60) JAK3JAK2JAK1
SCHEMBL16245362 0.86 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL20184591 0.85 JAK2 (0.73) JAK3JAK2ROCK2LIMK1
SCHEMBL20184347 0.85 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184690 0.84 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL20184721 0.84 JAK3 (0.73) JAK3JAK2JAK1
SCHEMBL20184691 0.84 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184345 0.83 JAK3 (0.62) JAK3JAK2ROCK2LIMK1JAK1
SCHEMBL20184692 0.83 JAK3 (0.70) 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 claimed