SCHEMBL21167757

SCHEMBL21167757

CNCc1ccn2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MET P08581 1/20 0.38
PCSK9 Q8NBP7 1/20 0.36
SCN5A Q14524 1/20 0.36
TGFBR1 P36897 3/20 0.36
CYP2A6 P11509 3/20 0.34
NAMPT P43490 1/20 0.34
PIK3CD O00329 1/20 0.33
CYP3A4 P08684 2/20 0.32
ADRB2 P07550 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CBLB Q13191 1/20 0.31
KCNN1 Q92952 1/20 0.31
KCNN2 Q9H2S1 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31

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
SCHEMBL6468289 0.80 DYRK1A (0.44) DYRK1AMETPCSK9SCN5ATGFBR1
SCHEMBL16848813 0.77 DYRK1A (0.41) DYRK1AKDM4ETP53METPCSK9
SCHEMBL3347070 0.77 DYRK1A (0.44) DYRK1AMETPCSK9SCN5ATGFBR1
SCHEMBL2177217 0.77 DYRK1A (0.47) DYRK1AMETPCSK9SCN5ATGFBR1
SCHEMBL23529908 0.77 DYRK1A (0.44) DYRK1AKDM4EMETPCSK9SCN5A
SCHEMBL7481486 0.76 DYRK1A (0.41) DYRK1AKDM4EMETPCSK9SCN5A
SCHEMBL21368088 0.76 KDM4E (0.47) KDM4ETP53CYP2A6CYP3A4ADRB2
SCHEMBL5872614 0.73 KCNH2 (0.51) DYRK1AMETSCN5ATGFBR1
SCHEMBL13073615 0.73 PCSK9 (0.44) DYRK1APCSK9SCN5ATGFBR1PIK3CD
SCHEMBL3347107 0.72 DYRK1A (0.41) DYRK1AMETPCSK9SCN5ATGFBR1

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 2 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-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed