SCHEMBL20184690

SCHEMBL20184690

O=C(O)c1c[nH]c2ncnc(-c3cccc(OCc4ccccc4)c3)c12

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.79
JAK2 O60674 10/20 0.79
DHODH Q02127 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PRKDC P78527 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 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
SCHEMBL15032782 0.88 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL20184691 0.84 JAK3 (0.77) JAK3JAK2JAK1
SCHEMBL20184456 0.83 JAK2 (0.61) JAK3JAK2DHODHNR1H4ALDH1A1
SCHEMBL20184496 0.83 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL15032652 0.82 JAK3 (0.63) JAK3JAK2PIK3CDPIK3CAPIK3CB
SCHEMBL20184692 0.82 JAK3 (0.70) JAK3JAK2JAK1
SCHEMBL20184347 0.82 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL20184432 0.81 JAK3 (0.68) JAK3JAK2
SCHEMBL20184531 0.79 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL20184454 0.79 JAK3 (0.70) 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