SCHEMBL14628840

SCHEMBL14628840

O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCC[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.76
JAK3 P52333 19/20 0.76
JAK1 P23458 18/20 0.76

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
SCHEMBL2105096 1.00 JAK2 (0.76) JAK2JAK3JAK1
SCHEMBL2054865 1.00 JAK2 (0.76) JAK2JAK3JAK1
SCHEMBL2105850 0.86 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2104800 0.86 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2105184 0.86 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2105721 0.85 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2106588 0.85 JAK2 (0.80) JAK2JAK3JAK1
SCHEMBL2104655 0.84 JAK2 (0.70) JAK2JAK3JAK1
SCHEMBL2054869 0.84 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2054848 0.84 JAK2 (1.00) JAK2JAK3JAK1

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-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed