SCHEMBL16199878

SCHEMBL16199878

CNC(=O)c1cnc2[nH]ccc2c1N[C@H]1C2CC3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.78
JAK2 O60674 15/20 0.78
JAK3 P52333 13/20 0.78
TYK2 P29597 9/20 0.78
IRAK4 Q9NWZ3 1/20 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
SCHEMBL12888159 1.00 JAK1 (0.78) JAK1JAK2JAK3TYK2IRAK4
SCHEMBL16199901 1.00 JAK1 (0.78) JAK1JAK2JAK3TYK2IRAK4
SCHEMBL12876521 1.00 JAK1 (0.78) JAK1JAK2JAK3TYK2IRAK4
SCHEMBL12875990 1.00 JAK1 (0.78) JAK1JAK2JAK3TYK2IRAK4
SCHEMBL12875962 0.91 JAK1 (0.80) JAK1JAK2JAK3TYK2
Hydrochloric Acid SCHEMBL14875678 0.91 JAK1 (0.80) JAK1JAK2JAK3TYK2
SCHEMBL1154573 0.90 JAK1 (0.81) JAK1JAK2JAK3TYK2
Hydrochloric Acid SCHEMBL1154913 0.90 JAK1 (0.78) JAK1JAK2JAK3TYK2
Hydrochloric Acid SCHEMBL1154911 0.90 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL1154576 0.90 JAK1 (0.81) JAK1JAK2JAK3TYK2

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-1966200-B1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC (JP) 2014-10-29 EP disclosed