SCHEMBL21167674

SCHEMBL21167674

N#Cc1ccnc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
HSPA5 P11021 1/20 0.39
NPC1 O15118 1/20 0.38
KDR P35968 3/20 0.38
NOS1 P29475 1/20 0.37
MET P08581 4/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL21167824 0.90 HSPA5 (0.42) AURKAAURKBHSPA5NPC1KDR
SCHEMBL21167431 0.88 KDM4E (0.42) HSPA5NPC1KDRMETKLKB1
SCHEMBL21167585 0.86 KDR (0.41) AURKAAURKBNPC1KDRMET
SCHEMBL21167816 0.86 NPC1 (0.42) NPC1KDRMETKLKB1KLK1
SCHEMBL21167656 0.85 KDR (0.40) AURKAAURKBHSPA5NPC1KDR
SCHEMBL21167438 0.84 EGFR (0.41) AURKANPC1KDRMETKLKB1
SCHEMBL21167725 0.84 KDR (0.44) NPC1KDRNOS1METKLKB1
SCHEMBL21167592 0.83 NPC1 (0.42) NPC1KDRMETKLKB1KLK1
SCHEMBL21167730 0.82 MET (0.44) HSPA5NPC1KDRMETKLKB1
SCHEMBL21167629 0.81 NPC1 (0.44) HSPA5NPC1KDRMETKLKB1

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