SCHEMBL21078299

SCHEMBL21078299

O=CNc1nc2c(O)cccn2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.53
JAK3 P52333 16/20 0.53
PTK2 Q05397 10/20 0.53
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MPI P34949 1/20 0.34

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
SCHEMBL21078019 0.79 JAK2 (0.57) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL19226350 0.78 JAK2 (0.53) JAK2JAK3PTK2KDM4EALDH1A1
Formic Acid SCHEMBL30455129 0.70 JAK2 (0.39) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL2640482 0.69 JAK2 (0.54) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL2634635 0.66 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL29876843 0.62 GAA (0.50) KDM4EALDH1A1LMNAGAA
SCHEMBL1939410 0.62 GAA (0.50) KDM4EALDH1A1LMNAGAA
SCHEMBL3259696 0.61 MAP4K4 (0.46) JAK2JAK3PTK2LMNA
SCHEMBL17886514 0.61 JAK2 (0.53) JAK2JAK3PTK2ALDH1A1LMNA
Formic Acid SCHEMBL30455236 0.61 EGFR (0.35) KDM4E

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