SCHEMBL19417543

SCHEMBL19417543

CSc1ccc(F)cc1CNc1nc(Nc2cnn(CC(=O)NC3CC3)c2)ncc1C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.52
JAK2 O60674 13/20 0.52
JAK1 P23458 10/20 0.52

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
SCHEMBL15546366 0.92 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL16782601 0.86 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL15547988 0.84 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL16782442 0.83 JAK3 (0.50) JAK3JAK2JAK1
SCHEMBL15547424 0.83 JAK3 (0.52) JAK3JAK2JAK1
SCHEMBL16782587 0.82 JAK3 (0.57) JAK3JAK2JAK1
SCHEMBL15547290 0.80 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL15559205 0.79 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL15548553 0.77 JAK3 (0.54) JAK3JAK2JAK1
SCHEMBL15547421 0.76 JAK3 (0.58) 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
EP-2855451-B1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LTD (GB) 2017-10-04 EP disclosed