SCHEMBL20184488

SCHEMBL20184488

Nc1cc(F)cc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.50
JAK2 O60674 14/20 0.50
LDHA P00338 1/20 0.45
ROCK2 O75116 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL15032732 0.83 JAK3 (0.74) JAK3JAK2
SCHEMBL20184458 0.82 JAK3 (0.71) JAK3JAK2ROCK2LIMK1
SCHEMBL20184686 0.82 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184531 0.81 JAK3 (0.56) JAK3JAK2
SCHEMBL20184346 0.80 JAK2 (0.67) JAK3JAK2ROCK2LIMK1
SCHEMBL20184554 0.79 JAK3 (0.39) JAK3JAK2LDHA
SCHEMBL20184535 0.79 JAK3 (0.76) JAK3
SCHEMBL20184409 0.79 JAK3 (0.55) JAK3JAK2ROCK2LIMK1
SCHEMBL20184432 0.77 JAK3 (0.68) JAK3JAK2ROCK2LIMK1
SCHEMBL20184678 0.77 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