SCHEMBL21167458

SCHEMBL21167458

N#Cc1ccc(-c2cnc(N)c(NCc3ccn4nccc4c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
HDAC1 Q13547 1/20 0.40
CSF1R P07333 2/20 0.39
MET P08581 5/20 0.36
SYK P43405 2/20 0.34
KCNA5 P22460 1/20 0.34
ATR Q13535 5/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL22475821 0.86 MET (0.37) LDHALDHBHDAC1METSYK
SCHEMBL21167667 0.83 LDHA (0.44) LDHALDHBCSF1RMETSYK
SCHEMBL24591021 0.81 MET (0.44) LDHALDHBCSF1RMETATR
SCHEMBL21167565 0.80 CSF1R (0.62) LDHALDHBCSF1RMET
SCHEMBL21167751 0.80 LDHA (0.43) LDHALDHBCSF1RMETPIK3CD
SCHEMBL21167775 0.77 MET (0.57) LDHALDHBHDAC1CSF1RMET
SCHEMBL21167831 0.77 LDHA (0.38) LDHALDHBCSF1RMETPIK3CD
SCHEMBL21167564 0.77 MET (0.59) LDHALDHBCSF1RMETPDE4C
SCHEMBL21167754 0.76 MET (0.60) LDHALDHBCSF1RMETATR
SCHEMBL21167473 0.75 MET (0.47) LDHALDHBCSF1RMETSYK

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