SCHEMBL21078147

SCHEMBL21078147

O=C(OC1CCOC1)N1CC=C(I)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 13/20 0.40
MMP2 P08253 10/20 0.40
MMP3 P08254 5/20 0.40
MMP9 P14780 5/20 0.40
MMP1 P03956 3/20 0.40
GPR119 Q8TDV5 4/20 0.40
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
KDM1A O60341 1/20 0.35

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
SCHEMBL21078126 0.89 JAK2 (0.35) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL21078142 0.84 PRSS1 (0.35) ADAM10MMP2MMP9JAK2JAK1
SCHEMBL17888257 0.84 GPR119 (0.42) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL17886595 0.82 GPR119 (0.43) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL21078128 0.77 NAMPT (0.50)
SCHEMBL20764784 0.75 GPR119 (0.41) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL21077917 0.73 NAMPT (0.48)
SCHEMBL1747687 0.73 GPR119 (0.45) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL17888249 0.72 JAK2 (0.36) ADAM10MMP2MMP3MMP9MMP1
SCHEMBL21078133 0.70 L3MBTL1 (0.38)

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