SCHEMBL21167485

SCHEMBL21167485

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
KDR P35968 11/20 0.35
NPC1 O15118 1/20 0.35
SYK P43405 1/20 0.34
HDAC4 P56524 1/20 0.34
EP300 Q09472 1/20 0.34
MEF2D Q14814 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HSPA5 P11021 1/20 0.34
HSPA8 P11142 1/20 0.34
PDPK1 O15530 1/20 0.33
FLT1 P17948 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL21167434 0.89 HDAC3 (0.38) HDAC3KDRNPC1SYKHDAC4
SCHEMBL22475855 0.89 HDAC3 (0.37) HDAC3KDRNPC1SYKHDAC4
SCHEMBL22475886 0.88 HDAC3 (0.37) HDAC3KDRNPC1SYKHDAC4
SCHEMBL22475862 0.87 HDAC3 (0.36) HDAC3KDRNPC1SYKHDAC4
SCHEMBL21167792 0.85 SYK (0.35) HDAC3KDRNPC1SYKHDAC4
SCHEMBL22475900 0.85 HDAC3 (0.36) HDAC3KDRNPC1SYKHDAC4
SCHEMBL22475722 0.84 HDAC3 (0.41) HDAC3KDRNPC1SYKHDAC4
SCHEMBL23128026 0.84 HDAC3 (0.40) HDAC3KDRNPC1SYKHDAC4
SCHEMBL21167413 0.83 HDAC3 (0.36) HDAC3KDRNPC1SYKHDAC4
SCHEMBL21167486 0.83 HDAC3 (0.35) HDAC3

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-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