SCHEMBL21167741

SCHEMBL21167741

Nc1ncc(Oc2ccccn2)nc1N(N)Cc1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.39
HDAC3 O15379 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK1 Q15118 2/20 0.36
CHKA P35790 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAP4K4 O95819 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 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
SCHEMBL21167662 0.90 MET (0.37) METHDAC3KDM4EALDH1A1TP53
SCHEMBL21167537 0.87 MET (0.38) METHDAC3KDM4EALDH1A1TP53
SCHEMBL21167659 0.86 MAP4K4 (0.43) METHDAC3KDM4EALDH1A1TP53
SCHEMBL14378443 0.82 MET (0.44) METHDAC3KDM4EALDH1A1TP53
SCHEMBL29314345 0.80 MET (0.34) METHDAC3PDK1CHKAPDE10A
SCHEMBL22109506 0.78 MET (0.40) METHDAC3KDM4EALDH1A1TP53
SCHEMBL29316038 0.74 MET (0.36) METKDM4EALDH1A1TP53HSP90AA1
SCHEMBL21167441 0.73 PIK3CA (0.41) PDE10A
SCHEMBL24591158 0.73 MET (0.35) METHDAC3HTTPDK1CHKA
SCHEMBL14378355 0.73 ATR (0.44) METHDAC3PDK1PDE10AKLKB1

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 4 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-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 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