SCHEMBL23168475

SCHEMBL23168475

Cn1ccc2cnc(Nc3cnn(CC(=O)O)c3)nc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.63
▸ JAK2 O60674 13/20 0.56
▸ TYK2 P29597 5/20 0.55
▸ JAK3 P52333 3/20 0.55
▸ HDAC6 Q9UBN7 9/20 0.55
▸ HDAC1 Q13547 1/20 0.55

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
SCHEMBL22696706 0.86 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL23168476 0.85 JAK2 (0.51) JAK1JAK2TYK2JAK3HDAC6
SCHEMBL23168421 0.85 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL29467011 0.82 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL22638036 0.82 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL22648835 0.82 JAK1 (0.64) JAK1JAK2TYK2JAK3HDAC6
SCHEMBL22648676 0.80 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL22686512 0.80 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL22648763 0.80 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL28722824 0.80 JAK1 (0.61) 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
WO-2021062036-A1 JAK INHIBITORS VIMALAN BIOSCIENCES, INC. (US) 2021-04-01 — — WO disclosed
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