SCHEMBL21077809

SCHEMBL21077809

CN(C)CCC(=O)N1CC=C(I)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 3/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
SIGMAR1 Q99720 2/20 0.33
PRMT1 Q99873 1/20 0.33
PARP14 Q460N5 1/20 0.33
BTK Q06187 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACKR3 P25106 1/20 0.33
TACR1 P25103 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL16255739 0.83 MEN1 (0.41) MEN1KMT2ANAMPTJAK2JAK1
SCHEMBL21077998 0.83 NAMPT (0.45) MEN1KMT2ANAMPT
SCHEMBL21077810 0.82 MEN1 (0.45) MEN1KMT2ANAMPTJAK1KDM4E
SCHEMBL12139832 0.81 MEN1 (0.40) MEN1KMT2ANAMPTJAK2JAK1
SCHEMBL12141752 0.81 MEN1 (0.40) MEN1KMT2ANAMPTJAK2JAK1
SCHEMBL21077996 0.80 L3MBTL1 (0.45) MEN1KMT2ANAMPT
SCHEMBL21078097 0.79 MEN1 (0.40) MEN1KMT2ANAMPTJAK2JAK1
SCHEMBL21077861 0.77 NAMPT (0.43) MEN1KMT2ANAMPTJAK2JAK1
SCHEMBL21077850 0.76 JAK1 (0.48) MEN1KMT2AJAK2JAK1
SCHEMBL21078127 0.76 MEN1 (0.40) MEN1KMT2ANAMPTJAK2JAK1

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