SCHEMBL20184462

SCHEMBL20184462

O=C(Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1)C1=COCCO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
JAK2 O60674 3/20 0.47
JAK1 P23458 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL15032822 0.87 JAK3 (0.67) JAK3JAK2JAK1
SCHEMBL20184413 0.86 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184583 0.84 MAPT (0.48) JAK3ALDH1A1MAPTJAK2JAK1
SCHEMBL20184447 0.78 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184666 0.77 JAK3 (0.53) JAK3JAK2JAK1
SCHEMBL20184416 0.77 JAK3 (0.53) JAK3JAK2JAK1
SCHEMBL20184577 0.77 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184457 0.77 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL15010792 0.77 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184561 0.77 JAK3 (0.77) 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