SCHEMBL18534692

SCHEMBL18534692

C[C@@H](NC(=O)c1cn(SF)c2ncc(-c3nccc4ccccc34)nc12)C(=O)N1CC(C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.53
JAK1 P23458 20/20 0.53
JAK3 P52333 19/20 0.53
TYK2 P29597 1/20 0.46

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
SCHEMBL18534535 0.83 JAK2 (0.64) JAK2JAK1JAK3TYK2
SCHEMBL18534451 0.83 JAK2 (0.51) JAK2JAK1JAK3TYK2
SCHEMBL14751527 0.83 JAK2 (0.76) JAK2JAK1JAK3TYK2
SCHEMBL14752224 0.82 JAK2 (0.49) JAK2JAK1JAK3TYK2
SCHEMBL18524836 0.75 JAK2 (0.58) JAK2JAK1JAK3TYK2
SCHEMBL18534870 0.74 JAK2 (0.72) JAK2JAK1JAK3TYK2
SCHEMBL14751230 0.73 JAK2 (0.39) JAK2JAK1JAK3TYK2
SCHEMBL14751083 0.72 JAK2 (0.61) JAK2JAK1JAK3TYK2
SCHEMBL14751467 0.70 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL14751794 0.67 JAK2 (1.00) JAK2JAK1JAK3TYK2

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed