SCHEMBL20184428

SCHEMBL20184428

O=C(/C=C/c1ccco1)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.56
JAK2 O60674 4/20 0.56
MEN1 O00255 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
JAK1 P23458 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
SCHEMBL15032941 0.88 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL16245316 0.88 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184366 0.85 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL20184714 0.84 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184573 0.84 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184388 0.84 RAB9A (0.50) JAK3JAK2MEN1RAB9AKMT2A
SCHEMBL20184558 0.84 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184485 0.84 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184364 0.83 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL15010428 0.82 JAK3 (0.60) JAK3JAK2RAB9ANPC1SMN1; SMN2

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