SCHEMBL21167730

SCHEMBL21167730

Nc1ncc(Nc2cc(NCCO)ccn2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.44
NPC1 O15118 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
KDR P35968 8/20 0.38
CHEK1 O14757 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
HSPA5 P11021 1/20 0.36
HSPA8 P11142 1/20 0.36
DHFR P00374 1/20 0.35
HDAC4 P56524 1/20 0.35
EP300 Q09472 1/20 0.35
MEF2D Q14814 1/20 0.35
HDAC3 O15379 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
FLT1 P17948 1/20 0.34

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
SCHEMBL22475734 0.90 MET (0.43) METNPC1HDAC6KDRCHEK1
SCHEMBL21167555 0.89 NPC1 (0.39) METNPC1HDAC6KDRKLKB1
SCHEMBL21167431 0.86 KDM4E (0.42) METNPC1HDAC6KDRKLKB1
SCHEMBL21167592 0.85 NPC1 (0.42) METNPC1HDAC6KDRKLKB1
SCHEMBL21167547 0.85 MET (0.38) METNPC1HDAC6KDRKLKB1
SCHEMBL21167621 0.84 NPC1 (0.40) METNPC1HDAC6KDRKLKB1
SCHEMBL21167585 0.84 KDR (0.41) METNPC1KDRKLKB1KLK1
SCHEMBL21167816 0.83 NPC1 (0.42) METNPC1HDAC6KDRKLKB1
SCHEMBL21167737 0.83 NPC1 (0.41) METNPC1HDAC6KDRKLKB1
SCHEMBL21167629 0.83 NPC1 (0.44) METNPC1HDAC6KDRKLKB1

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