SCHEMBL20184596

SCHEMBL20184596

Nc1cc(-c2ncnc3[nH]cc(C(=O)O)c23)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.71
JAK2 O60674 17/20 0.71
KMO O15229 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
SCHEMBL20184409 0.85 JAK3 (0.55) JAK3JAK2
SCHEMBL20184362 0.85 JAK3 (0.74) JAK3JAK2
SCHEMBL15032886 0.83 JAK3 (1.00) JAK3JAK2
SCHEMBL20184434 0.83 JAK3 (0.74) JAK3JAK2
SCHEMBL20184363 0.83 JAK3 (0.55) JAK3JAK2
SCHEMBL20184346 0.82 JAK2 (0.67) JAK3JAK2
SCHEMBL20184385 0.81 JAK3 (0.71) JAK3JAK2KMO
SCHEMBL20184433 0.80 JAK3 (0.75) JAK3JAK2
SCHEMBL20184531 0.80 JAK3 (0.56) JAK3JAK2
SCHEMBL20184679 0.80 JAK3 (0.56) 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