SCHEMBL21078141

SCHEMBL21078141

N#CCOC(=O)N1CC=C(I)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17888221 0.82 MAPT (0.39) GRM5JAK2JAK1GAAMAPT
SCHEMBL21077854 0.81 MAPT (0.43) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL17886538 0.80 GRM5 (0.37) GRM5JAK2JAK1GAAMAPT
SCHEMBL21077999 0.78 NOTUM (0.36) GRM5JAK2JAK1
SCHEMBL21077858 0.78 POLB (0.38) GRM5JAK2JAK1GAAMAPT
SCHEMBL21077991 0.77 ALDH1A1 (0.40) JAK2JAK1GAAMAPTKDM4E
SCHEMBL21077987 0.77 PRSS1 (0.38) GRM5JAK2JAK1
SCHEMBL21077916 0.77 MEN1 (0.40) JAK2JAK1ALDH1A1MEN1HPGD
SCHEMBL21077805 0.77 FAAH (0.37) GRM5JAK2JAK1GAAMAPT
SCHEMBL21078127 0.75 MEN1 (0.40) JAK2JAK1MEN1KMT2A

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