SCHEMBL21167377

SCHEMBL21167377

COc1ccc(-c2ccc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
HDAC1 Q13547 1/20 0.38
PDE10A Q9Y233 2/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MET P08581 6/20 0.36
SYK P43405 1/20 0.36
MTOR P42345 1/20 0.36
CYP11B1 P15538 1/20 0.36
HDAC3 O15379 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
CYP19A1 P11511 2/20 0.35
DYRK1A Q13627 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
SCHEMBL23127972 0.91 PIK3CD (0.42) HDAC1PDE10APIK3CAPIK3CDPIK3CB
SCHEMBL22475938 0.84 MET (0.48) METSYKHDAC3DYRK1A
SCHEMBL21167331 0.83 SYK (0.37) PDE10AMETSYKHDAC3DYRK1A
SCHEMBL22475868 0.83 HDAC3 (0.37) PDE10AMETHDAC3DYRK1A
SCHEMBL22475827 0.82 MET (0.56) PIK3CAPIP5K1CPI4KAPI4KBMET
SCHEMBL22475688 0.82 HDAC3 (0.42) HDAC1METSYKHDAC3
SCHEMBL22475954 0.81 MET (0.35) PDE10AMETHDAC3DYRK1A
SCHEMBL21171666 0.80 CNR2 (0.46) MET
SCHEMBL24591065 0.80 MAPT (0.39) METSYKHDAC3DYRK1A
SCHEMBL21167576 0.79 MET (0.37) METSYKHDAC3DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed