SCHEMBL1696902

SCHEMBL1696902

O=C(O)c1c[nH]c2ncc(Oc3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.56
JAK2 O60674 12/20 0.56
JAK1 P23458 12/20 0.56
DHODH Q02127 3/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGER4 P35408 1/20 0.41
RUNX1 Q01196 1/20 0.39

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
SCHEMBL1370810 0.87 JAK3 (0.75) JAK3JAK2JAK1PTGER4
SCHEMBL1369663 0.86 JAK3 (0.62) JAK3JAK2JAK1
SCHEMBL1370816 0.85 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL14655458 0.84 JAK3 (0.74) JAK3JAK2JAK1
SCHEMBL15755322 0.84 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL15755880 0.81 JAK3 (0.77) JAK3JAK2JAK1PTGER4
SCHEMBL12147966 0.80 JAK3 (0.74) JAK3JAK2JAK1
SCHEMBL14795094 0.78 JAK3 (0.60) JAK3JAK2JAK1DHODH
Ethylamine SCHEMBL1372020 0.78 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL17413020 0.78 JAK3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed