SCHEMBL12148147

SCHEMBL12148147

C=C(N[C@@H](C)[C@@](C)(O)CC1CC1)c1c[nH]c2ncc(C3CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.60
JAK2 O60674 19/20 0.60
JAK3 P52333 19/20 0.60
TYK2 P29597 2/20 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
SCHEMBL12147955 0.90 JAK1 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL12147957 0.90 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL1368853 0.88 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL1369362 0.88 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL12148174 0.84 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL1369820 0.78 JAK1 (0.81) JAK1JAK2JAK3TYK2
SCHEMBL1369717 0.78 JAK1 (0.81) JAK1JAK2JAK3TYK2
SCHEMBL1368939 0.78 JAK1 (0.81) JAK1JAK2JAK3TYK2
SCHEMBL1368850 0.77 JAK1 (0.76) JAK1JAK2JAK3TYK2
SCHEMBL12148176 0.77 JAK3 (0.56) JAK1JAK2JAK3TYK2

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
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