SCHEMBL18524748

SCHEMBL18524748

C[C@@H](NC(=O)Oc1c[nH]c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C(=O)N1CC(C#N)C1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.78
JAK1 P23458 20/20 0.78
JAK3 P52333 19/20 0.78
TYK2 P29597 1/20 0.51

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
SCHEMBL14751767 0.88 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL18524503 0.86 JAK2 (0.59) JAK2JAK1JAK3TYK2
SCHEMBL18524685 0.84 JAK1 (0.58) JAK2JAK1JAK3TYK2
SCHEMBL18524548 0.81 JAK2 (0.79) JAK2JAK1JAK3TYK2
SCHEMBL18524677 0.80 JAK2 (0.79) JAK2JAK1JAK3TYK2
SCHEMBL18524737 0.80 JAK2 (0.79) JAK2JAK1JAK3TYK2
SCHEMBL18524861 0.79 JAK2 (0.67) JAK2JAK1JAK3TYK2
SCHEMBL18524890 0.78 JAK2 (0.66) JAK2JAK1JAK3TYK2
SCHEMBL18524458 0.78 JAK2 (0.78) JAK2JAK1JAK3TYK2
SCHEMBL14751126 0.78 JAK2 (0.82) 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 claimed