SCHEMBL20184572

SCHEMBL20184572

COc1ccccc1/C=C\C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)O)c23)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.61
JAK2 O60674 4/20 0.60
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPA1 O75762 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
EGFR P00533 1/20 0.49
JAK1 P23458 1/20 0.49

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
SCHEMBL15032755 0.90 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL16245386 0.90 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20195303 0.88 JAK3 (0.68) JAK3JAK2JAK1
SCHEMBL20184367 0.85 JAK3 (0.65) JAK3JAK2LMNAMAPTJAK1
SCHEMBL20184534 0.85 MAPT (0.49) JAK3JAK2MEN1LMNAMAPT
SCHEMBL20184345 0.85 JAK3 (0.62) JAK3JAK2LMNAMAPTJAK1
SCHEMBL20184469 0.84 JAK3 (0.78) JAK3JAK2JAK1
SCHEMBL20184573 0.84 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184714 0.84 JAK3 (0.76) JAK3JAK2JAK1
SCHEMBL20184558 0.83 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