SCHEMBL21167780

SCHEMBL21167780

CC(Nc1nc(-c2cnn(CCO)c2)cnc1N)c1ccn2nccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.62
LDHB P07195 8/20 0.44
LDHA P00338 8/20 0.44
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PIK3CD O00329 2/20 0.42
NTRK1 P04629 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL21167599 0.91 MET (0.60) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL22475690 0.88 MET (0.59) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL21167779 0.88 MET (0.59) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL24591159 0.88 MET (0.59) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL21167564 0.83 MET (0.59) METLDHBLDHAPDE4CPDE4D
SCHEMBL22475914 0.81 LDHB (0.42) METLDHBLDHAPDE4CPDE4D
SCHEMBL21167600 0.78 MET (0.55) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL12690039 0.77 MET (1.00) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL12489803 0.77 MET (1.00) METPDE4CPDE4DPDE3BPDE3A
SCHEMBL17425917 0.77 MET (0.63) METPDE4CPDE4DPDE3BPDE3A

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