SCHEMBL20184701

SCHEMBL20184701

Cc1ccc(-c2ncnc3[nH]cc(C(=O)O)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.61
JAK3 P52333 17/20 0.61
ROCK2 O75116 2/20 0.54
LIMK1 P53667 2/20 0.54
KIT P10721 1/20 0.52
ROCK1 Q13464 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
SCHEMBL20184553 0.87 JAK2 (0.67) JAK2JAK3ROCK2LIMK1
SCHEMBL20184454 0.87 JAK3 (0.70) JAK2JAK3ROCK2LIMK1
SCHEMBL20184346 0.87 JAK2 (0.67) JAK2JAK3ROCK2LIMK1
SCHEMBL20184432 0.87 JAK3 (0.68) JAK2JAK3ROCK2LIMK1
SCHEMBL20184686 0.86 JAK3 (0.55) JAK2JAK3ROCK2LIMK1ROCK1
SCHEMBL20184363 0.86 JAK3 (0.55) JAK2JAK3ROCK2LIMK1ROCK1
SCHEMBL20184591 0.85 JAK2 (0.73) JAK2JAK3ROCK2LIMK1
SCHEMBL20184459 0.85 JAK2 (0.71) JAK2JAK3ROCK2LIMK1ROCK1
SCHEMBL20184499 0.85 JAK2 (0.54) JAK2JAK3ROCK2LIMK1ROCK1
SCHEMBL20184562 0.84 JAK3 (0.54) JAK2JAK3ROCK2LIMK1KIT

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