SCHEMBL21167792

SCHEMBL21167792

COCCN/C=C(\C=N)c1ccc(N)c(NCc2ccc3ncccc3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.35
KDR P35968 7/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC3 O15379 1/20 0.35
HSPA5 P11021 1/20 0.35
HSPA8 P11142 1/20 0.35
NPC1 O15118 1/20 0.34
HDAC4 P56524 1/20 0.34
EP300 Q09472 1/20 0.34
MEF2D Q14814 1/20 0.34
PDPK1 O15530 1/20 0.33
MAPT P10636 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
FLT1 P17948 1/20 0.33
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
MET P08581 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
SCHEMBL22475886 0.91 HDAC3 (0.37) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL22475693 0.90 HDAC3 (0.37) KDRHDAC6HDAC3HDAC4EP300
SCHEMBL21167434 0.89 HDAC3 (0.38) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL22475862 0.86 HDAC3 (0.36) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL21167485 0.85 HDAC3 (0.36) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL22475900 0.84 HDAC3 (0.36) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL22475855 0.84 HDAC3 (0.37) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL22475722 0.84 HDAC3 (0.41) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL23128026 0.83 HDAC3 (0.40) SYKKDRHDAC6HDAC3HSPA5
SCHEMBL21167413 0.83 HDAC3 (0.36) SYKKDRHDAC6HDAC3HSPA5

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