SCHEMBL16199898

SCHEMBL16199898

NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3C[C@H](C2)C[C@H]1C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
JAK3 P52333 19/20 1.00
JAK1 P23458 16/20 1.00
TYK2 P29597 5/20 0.81

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
SCHEMBL12888258 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL12904175 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL12876084 0.89 JAK1 (0.80) JAK2JAK3JAK1TYK2
SCHEMBL12888278 0.88 JAK2 (0.80) JAK2JAK3JAK1TYK2
SCHEMBL12876335 0.88 JAK2 (0.80) JAK2JAK3JAK1TYK2
Peficitinib SCHEMBL24212690 0.87 JAK3 (1.00) JAK2JAK3JAK1TYK2
SCHEMBL12876287 0.87 JAK2 (0.81) JAK2JAK3JAK1TYK2
Peficitinib SCHEMBL9990240 0.87 JAK3 (1.00) JAK2JAK3JAK1TYK2
Peficitinib SCHEMBL9990248 0.87 JAK3 (1.00) JAK2JAK3JAK1TYK2
Peficitinib SCHEMBL22404910 0.87 JAK3 (1.00) JAK2JAK3JAK1TYK2

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