SCHEMBL20184590

SCHEMBL20184590

O=C(/C=C/c1cccnc1)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.64
JAK2 O60674 4/20 0.57
NAMPT P43490 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EGFR P00533 1/20 0.47
JAK1 P23458 1/20 0.46

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
SCHEMBL20184485 0.90 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL15032948 0.88 JAK3 (0.84) JAK3JAK2JAK1
SCHEMBL16245371 0.88 JAK3 (0.84) JAK3JAK2JAK1
SCHEMBL20184558 0.85 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184345 0.84 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184366 0.84 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184602 0.84 JAK3 (0.52) JAK3JAK2NAMPTNPC1RAB9A
SCHEMBL20184367 0.83 JAK3 (0.65) JAK3JAK2NPC1RAB9AJAK1
SCHEMBL20184603 0.83 JAK3 (0.63) JAK3JAK2
SCHEMBL20184573 0.83 JAK3 (0.76) JAK3JAK2JAK1

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