SCHEMBL21167728

SCHEMBL21167728

Nc1ncc(Nc2cccnc2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
KDR P35968 4/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.39
PIK3CA P42336 1/20 0.38
RAB9A P51151 2/20 0.38
SYK P43405 1/20 0.37
MET P08581 1/20 0.37
DHFR P00374 1/20 0.37
HDAC3 O15379 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21167629 0.91 NPC1 (0.44) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167437 0.88 PIK3CA (0.42) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167454 0.88 NPC1 (0.44) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167731 0.88 NPC1 (0.43) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167657 0.87 NPC1 (0.42) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167592 0.87 NPC1 (0.42) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167366 0.86 NPC1 (0.43) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167816 0.85 NPC1 (0.42) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL22475859 0.85 NPC1 (0.41) NPC1KDRKLKB1KLK1HDAC6
SCHEMBL21167575 0.85 NPC1 (0.41) NPC1KDRKLKB1KLK1HDAC6

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 4 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-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 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