SCHEMBL29467014

SCHEMBL29467014

CCOC(=O)Cn1cc(Nc2ncc3ccn(CC(CC)CO)c3n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.72
▸ JAK2 O60674 12/20 0.72
▸ TYK2 P29597 10/20 0.71
▸ JAK3 P52333 6/20 0.69

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
SCHEMBL22638013 1.00 JAK1 (0.72) JAK1JAK2TYK2JAK3
SCHEMBL29467012 1.00 JAK1 (0.72) JAK1JAK2TYK2JAK3
SCHEMBL22638037 0.96 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL29467004 0.96 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL22638016 0.90 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL29467007 0.90 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL29467006 0.90 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL22648683 0.90 JAK1 (0.65) JAK1JAK2TYK2JAK3
SCHEMBL28722824 0.89 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL22648717 0.88 JAK1 (0.72) JAK1JAK2TYK2JAK3

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-3966209-A1 JAK INHIBITORS Vimalan Biosciences, Inc. (US) 2022-03-16 — — EP disclosed
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