SCHEMBL21078019

SCHEMBL21078019

CNc1nc2c(O)cccn2n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.57
JAK3 P52333 17/20 0.57
PTK2 Q05397 9/20 0.57
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MPI P34949 1/20 0.36

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
SCHEMBL23030108 0.81 JAK2 (0.56) JAK2JAK3PTK2HSD17B10KDM4E
SCHEMBL13535757 0.81 AHR (0.50) JAK2JAK3PTK2ALDH1A1
SCHEMBL19226350 0.79 JAK2 (0.53) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL21078299 0.79 JAK2 (0.53) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL24857421 0.77 JAK2 (0.42) JAK2JAK3PTK2
SCHEMBL3759958 0.73 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL2640482 0.73 JAK2 (0.54) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL18952791 0.73 JAK2 (0.47) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL2634635 0.72 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL1857805 0.70 JAK2 (0.75) JAK2JAK3PTK2KDM4ELMNA

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