SCHEMBL20184591

SCHEMBL20184591

COc1ccc(-c2ncnc3[nH]cc(C(=O)O)c23)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.73
JAK3 P52333 12/20 0.73
LIMK1 P53667 8/20 0.63
ROCK2 O75116 2/20 0.51

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
SCHEMBL20184476 0.86 JAK3 (0.60) JAK2JAK3
SCHEMBL20184359 0.85 JAK3 (0.60) JAK2JAK3LIMK1ROCK2
SCHEMBL20184701 0.85 JAK2 (0.61) JAK2JAK3LIMK1ROCK2
SCHEMBL15032562 0.84 JAK3 (1.00) JAK2JAK3
SCHEMBL20184553 0.84 JAK2 (0.67) JAK2JAK3LIMK1ROCK2
SCHEMBL20184346 0.84 JAK2 (0.67) JAK2JAK3LIMK1ROCK2
SCHEMBL20184454 0.84 JAK3 (0.70) JAK2JAK3LIMK1ROCK2
SCHEMBL20184432 0.84 JAK3 (0.68) JAK2JAK3LIMK1ROCK2
SCHEMBL20184363 0.83 JAK3 (0.55) JAK2JAK3LIMK1ROCK2
SCHEMBL20184686 0.83 JAK3 (0.55) JAK2JAK3LIMK1ROCK2

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