SCHEMBL21077987

SCHEMBL21077987

O=C(OCC1CC1)N1CC=C(I)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.35
GRM5 P41594 1/20 0.33
KDM1A O60341 5/20 0.32
SLC6A15 Q9H2J7 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAOA P21397 3/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
MGLL Q99685 1/20 0.32
BCHE P06276 1/20 0.32
MAOB P27338 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
SCHEMBL14242829 0.82 SLC6A15 (0.39) PRSS1TPSAB1TPSD1TPSG1JAK1
SCHEMBL21077854 0.81 MAPT (0.43)
SCHEMBL17886588 0.80 BCL9 (0.37) PRSS1TPSAB1TPSD1TPSG1JAK1
SCHEMBL21077999 0.78 NOTUM (0.36) JAK1JAK2GRM5
SCHEMBL21077858 0.78 POLB (0.38) JAK1JAK2GRM5SLC6A15
SCHEMBL21078142 0.77 PRSS1 (0.35) PRSS1TPSAB1TPSD1TPSG1JAK1
SCHEMBL21077859 0.77 NAMPT (0.42) JAK1JAK2PTGDR2GRM5
SCHEMBL21078141 0.77 GRM5 (0.37) JAK1JAK2GRM5
SCHEMBL21077805 0.77 FAAH (0.37) JAK1JAK2PTGDR2GRM5MGLL
SCHEMBL21077916 0.77 MEN1 (0.40) JAK1JAK2PTGDR2SLC6A15

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