SCHEMBL22648791

SCHEMBL22648791

C=C(C)n1ccc2cnc(Nc3cnn(CC(=O)OCC)c3)nc21

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.71
▸ JAK2 O60674 11/20 0.70
▸ TYK2 P29597 8/20 0.69
▸ JAK3 P52333 5/20 0.67

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
SCHEMBL22696571 0.85 JAK1 (0.82) JAK1JAK2TYK2JAK3
SCHEMBL22648770 0.83 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL22648749 0.82 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL22638037 0.81 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL22648754 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL29467004 0.81 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL22648764 0.81 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL22648746 0.81 JAK1 (0.77) JAK1JAK2TYK2JAK3
SCHEMBL22648892 0.81 JAK1 (1.00) 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-2020227563-A1 JAK INHIBITORS VIMALAN BIOSCIENCES, INC. (US) 2020-11-12 — — WO disclosed
Send feedback