SCHEMBL21167795

SCHEMBL21167795

N=C/C(=C\NCCO)c1ccc(N)c(NC2(c3ccc4ncccc4c3)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 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
SCHEMBL23128047 0.88 ALDH1A1 (0.33) METKDM4EALDH1A1TP53HSP90AA1
SCHEMBL21167360 0.76 MET (0.34) MET
SCHEMBL22475995 0.75 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL22475886 0.74 HDAC3 (0.37) HDAC3
SCHEMBL21167807 0.72 SYK (0.32) METHSP90AA1HSP90AB1MAPTHTT
SCHEMBL21167792 0.72 SYK (0.35) METMAPTHTTHDAC3
SCHEMBL21167434 0.71 HDAC3 (0.38) METHDAC3
SCHEMBL21167788 0.70 POLB (0.34)
SCHEMBL23128017 0.70 MET (0.54) MET
SCHEMBL24591059 0.70 MET (0.47) MET

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