SCHEMBL22475693

SCHEMBL22475693

CC(=O)OCCN/C=C(\C=N)c1ccc(N)c(NCc2ccc3ncccc3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
KDR P35968 8/20 0.36
MET P08581 7/20 0.35
HDAC4 P56524 1/20 0.35
EP300 Q09472 1/20 0.35
MEF2D Q14814 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.34
FLT1 P17948 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL21167792 0.90 SYK (0.35) HDAC3KDRMETHDAC4EP300
SCHEMBL22475886 0.88 HDAC3 (0.37) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL21167434 0.86 HDAC3 (0.38) HDAC3KDRMETHDAC4EP300
SCHEMBL22475692 0.84 HDAC3 (0.36) HDAC3MET
SCHEMBL22475862 0.83 HDAC3 (0.36) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL21167485 0.83 HDAC3 (0.36) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL22475900 0.82 HDAC3 (0.36) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL22475855 0.81 HDAC3 (0.37) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL22475722 0.81 HDAC3 (0.41) HDAC3KDRHDAC4EP300MEF2D
SCHEMBL23128026 0.80 HDAC3 (0.40) HDAC3KDRHDAC4EP300MEF2D

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 2 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