SCHEMBL21078142

SCHEMBL21078142

O=C(OC1CC1)N1CC=C(I)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.35
F2 P00734 2/20 0.35
TPSAB1 Q15661 6/20 0.34
TPSD1 Q9BZJ3 6/20 0.34
TPSG1 Q9NRR2 6/20 0.34
HRH3 Q9Y5N1 7/20 0.34
SERPINE1 P05121 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
GPR183 P32249 1/20 0.32
ADAM10 O14672 2/20 0.32
ERBB2 P04626 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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 0.86 JAK2 (0.35) JAK2JAK1ADAM10ERBB2MMP2
SCHEMBL21078147 0.84 ADAM10 (0.40) JAK2JAK1ADAM10MMP2MMP9
SCHEMBL17888263 0.81 HRH3 (0.38) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL21077854 0.79 MAPT (0.43)
SCHEMBL17886601 0.78 PDK4 (0.35) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL21078133 0.78 L3MBTL1 (0.38)
SCHEMBL21077987 0.77 PRSS1 (0.38) PRSS1TPSAB1TPSD1TPSG1JAK2
SCHEMBL19226371 0.77 HRH3 (0.41) HRH3
SCHEMBL14243052 0.75 TPSAB1 (0.42) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL21078112 0.75 HPGD (0.42) JAK2JAK1

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