SCHEMBL20184409

SCHEMBL20184409

Nc1cc(-c2ncnc3[nH]cc(C(=O)O)c23)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.55
JAK2 O60674 16/20 0.55
ROCK2 O75116 1/20 0.44
LIMK1 P53667 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
SCHEMBL15032836 0.87 JAK3 (0.68) JAK3JAK2
SCHEMBL20184362 0.85 JAK3 (0.74) JAK3JAK2ROCK2LIMK1
SCHEMBL20184596 0.85 JAK3 (0.71) JAK3JAK2
SCHEMBL15032741 0.83 JAK3 (0.81) JAK3JAK2
SCHEMBL20184434 0.83 JAK3 (0.74) JAK3JAK2
SCHEMBL20184686 0.83 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184346 0.82 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184458 0.81 JAK3 (0.71) JAK3JAK2ROCK2LIMK1
SCHEMBL20184363 0.81 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184678 0.81 JAK3 (0.51) 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