SCHEMBL1696807

SCHEMBL1696807

O=C(NCCC1(O)CCCC1)c1c[nH]c2ncc(C3CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.60
JAK1 P23458 18/20 0.60
JAK2 O60674 17/20 0.60

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
SCHEMBL1696826 0.86 JAK1 (0.56) JAK3JAK1JAK2
SCHEMBL1696811 0.85 JAK1 (0.55) JAK3JAK1JAK2
SCHEMBL12147455 0.82 JAK1 (0.64) JAK3JAK1JAK2
SCHEMBL1368628 0.82 JAK3 (0.60) JAK3JAK1JAK2
SCHEMBL1696822 0.81 JAK1 (0.63) JAK3JAK1JAK2
SCHEMBL1696845 0.81 JAK3 (0.62) JAK3JAK1JAK2
SCHEMBL1368793 0.80 JAK3 (0.61) JAK3JAK1JAK2
SCHEMBL1696824 0.79 JAK3 (0.60) JAK3JAK1JAK2
SCHEMBL17403256 0.79 JAK1 (0.65) JAK3JAK1JAK2
SCHEMBL1368577 0.79 JAK1 (0.69) JAK3JAK1JAK2

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