SCHEMBL21078286

SCHEMBL21078286

CCCC(CCC)N(C)C(=O)c1ccc(Nc2nc3c(C4=CCNCC4)cccn3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.67
JAK2 O60674 8/20 0.67

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
SCHEMBL16554446 0.80 JAK2 (1.00) JAK1JAK2
Trifluoroacetic Acid SCHEMBL16553967 0.77 JAK1 (0.62) JAK1JAK2
SCHEMBL2640328 0.76 JAK2 (0.65) JAK1JAK2
SCHEMBL16553969 0.76 JAK1 (0.60) JAK1JAK2
SCHEMBL21078204 0.75 JAK1 (0.71) JAK1JAK2
SCHEMBL16565863 0.74 JAK2 (0.75) JAK1JAK2
SCHEMBL16565336 0.73 JAK1 (0.72) JAK1JAK2
SCHEMBL16565647 0.72 JAK2 (0.77) JAK1JAK2
SCHEMBL17868075 0.71 JAK1 (0.86) JAK1JAK2
SCHEMBL21078051 0.71 JAK1 (0.74) JAK1JAK2

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed