SCHEMBL20184686

SCHEMBL20184686

O=C(O)c1c[nH]c2ncnc(-c3ccc(F)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.55
JAK2 O60674 15/20 0.55
ROCK2 O75116 3/20 0.48
LIMK1 P53667 3/20 0.48
ROCK1 Q13464 1/20 0.47

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
SCHEMBL20184454 0.87 JAK3 (0.70) JAK3JAK2ROCK2LIMK1
SCHEMBL20184553 0.87 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184346 0.87 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184432 0.87 JAK3 (0.68) JAK3JAK2ROCK2LIMK1
SCHEMBL20184701 0.86 JAK2 (0.61) JAK3JAK2ROCK2LIMK1ROCK1
SCHEMBL20184363 0.86 JAK3 (0.55) JAK3JAK2ROCK2LIMK1ROCK1
SCHEMBL20184626 0.85 JAK3 (0.52) JAK3JAK2ROCK2LIMK1
SCHEMBL20184499 0.85 JAK2 (0.54) JAK3JAK2ROCK2LIMK1ROCK1
SCHEMBL20184458 0.84 JAK3 (0.71) JAK3JAK2ROCK2LIMK1
SCHEMBL20184409 0.83 JAK3 (0.55) 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