SCHEMBL21167571

SCHEMBL21167571

COCCOc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
SYK P43405 6/20 0.42
BACE1 P56817 1/20 0.42
HDAC1 Q13547 1/20 0.40
PTGES O14684 1/20 0.38
PDPK1 O15530 1/20 0.37
MET P08581 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC3 O15379 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL21167606 0.88 SYK (0.41) SYKBACE1HDAC6HDAC3KDR
SCHEMBL22475845 0.88 SYK (0.46) SYKHDAC1PDPK1METCLK1
SCHEMBL21167474 0.85 SYK (0.48) SYKHDAC1METHDAC6HDAC3
SCHEMBL22475846 0.85 SYK (0.44) SYKBACE1HDAC1PDPK1MET
SCHEMBL21167638 0.84 SYK (0.46) SYKPDPK1METHDAC6HDAC3
SCHEMBL21167387 0.82 SYK (0.48) SYKMETHDAC3CLK1CLK2
SCHEMBL23127972 0.81 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL22475671 0.81 MET (0.44) SYKMET
SCHEMBL21167709 0.80 SYK (0.42) SYKKDRNPC1
SCHEMBL21167804 0.80 MET (0.47) SYKHDAC1METHDAC6HDAC3

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