SCHEMBL22281981

SCHEMBL22281981

CN1[C@@H]2CC[C@H]1C[C@H](Oc1cc(-c3ccc(O)cc3)cn3cncc13)C2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.63
JAK2 O60674 2/20 0.60
JAK1 P23458 2/20 0.48

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
SCHEMBL22230270 0.87 JAK3 (0.65) JAK3JAK2JAK1
SCHEMBL22230267 0.87 JAK3 (0.65) JAK3JAK2JAK1
SCHEMBL22230271 0.87 JAK3 (0.65) JAK3JAK2JAK1
SCHEMBL29470598 0.85 JAK3 (0.64) JAK3JAK2JAK1
SCHEMBL22230243 0.84 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL22230244 0.84 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL22230242 0.84 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL29677638 0.84 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL22230260 0.84 JAK3 (0.80) JAK3JAK2JAK1
SCHEMBL22230258 0.84 JAK3 (0.80) JAK3JAK2JAK1

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-2020154350-A1 IMIDAZO[1,5-A]PYRIDINE, 1,2,4-TRIAZOLO[4,3-A]PYRIDINE AND IMIDAZO[1,5-A]PYRAZINE AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-30 WO disclosed