SCHEMBL21077845

SCHEMBL21077845

CCOC(=O)C1CCN(c2cccn3nc(C)nc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HPGD P15428 1/20 0.50
LGMN Q99538 2/20 0.49
CTSB P07858 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BLM P54132 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL21078020 0.81 JAK2 (0.55)
SCHEMBL2165481 0.76 ALDH1A1 (0.67) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL3436315 0.76 ALDH1A1 (0.64) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL196131 0.73 HPGD (0.61) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL2080093 0.73 LGMN (0.71) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL14804207 0.73 HPGD (0.61) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL18914465 0.72 MEN1 (0.65) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL18914464 0.72 HPGD (0.60) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL3252309 0.72 HPGD (0.84) MAPTHPGDLGMNKMT2AMEN1
SCHEMBL31458523 0.72 TSHR (0.60) MAPTHPGDLGMNKMT2AMEN1

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