SCHEMBL21167708

SCHEMBL21167708

COc1cccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.53
CLK4 Q9HAZ1 10/20 0.50
DYRK1A Q13627 3/20 0.50
MET P08581 1/20 0.50
CLK1 P49759 1/20 0.50
DYRK1B Q9Y463 1/20 0.49
APP P05067 1/20 0.46
MAP4K4 O95819 1/20 0.46
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
USP2 O75604 4/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 3/20 0.45
TSHR P16473 3/20 0.45
HIF1A Q16665 3/20 0.45

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
SCHEMBL22475846 0.91 SYK (0.44) SYKCLK4DYRK1AMETCLK1
SCHEMBL21167707 0.86 MET (0.48) SYKCLK4DYRK1AMETCLK1
SCHEMBL22475845 0.83 SYK (0.46) SYKCLK4DYRK1AMETCLK1
SCHEMBL21167606 0.81 SYK (0.41) SYKKDR
SCHEMBL21167474 0.81 SYK (0.48) SYKMETKDR
SCHEMBL19961116 0.80 SYK (0.46) SYKMETKDR
SCHEMBL24591018 0.80 MET (0.50) SYKMETKDR
SCHEMBL16520986 0.80 SYK (0.45) SYKMETKDR
SCHEMBL21167638 0.80 SYK (0.46) SYKDYRK1AMETKDR
SCHEMBL22754291 0.80 SYK (0.43) SYKMETKDR

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