SCHEMBL21167486

SCHEMBL21167486

CC(O)CN/C=C(\C=N)c1ccc(N)c(N(N)Cc2ccc3ncccc3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
FCER2 P06734 1/20 0.33
ACACB O00763 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PDK1 Q15118 2/20 0.32
MET P08581 9/20 0.31
CHKA P35790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22475692 0.83 HDAC3 (0.36) HDAC3ACACBUSP30PDK1MET
SCHEMBL21167485 0.83 HDAC3 (0.36) HDAC3
SCHEMBL21171413 0.83 HDAC3 (0.33) HDAC3USP30PDK1
SCHEMBL21167505 0.77 HDAC3 (0.36) HDAC3FCER2ACACBUSP30PDK1
SCHEMBL22754434 0.74 MET (0.45) HDAC3MET
SCHEMBL21167680 0.73 HDAC3 (0.40) HDAC3ACACBUSP30PDK1MET
SCHEMBL21167434 0.72 HDAC3 (0.38) HDAC3MET
SCHEMBL22475855 0.71 HDAC3 (0.37) HDAC3ACACB
SCHEMBL22475886 0.71 HDAC3 (0.37) HDAC3
SCHEMBL22475862 0.70 HDAC3 (0.36) HDAC3USP30

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-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed