SCHEMBL21167725

SCHEMBL21167725

COc1ccnc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
EGFR P00533 1/20 0.41
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40
RIOK2 Q9BVS4 1/20 0.40
MAPT P10636 1/20 0.39
PLA2G2A P14555 1/20 0.39
APP P05067 1/20 0.38
BRAF P15056 1/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
BACE1 P56817 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NPC1 O15118 1/20 0.38
MET P08581 2/20 0.37
PDE10A Q9Y233 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
SCHEMBL21167721 0.91 KLKB1 (0.37) KDRMAPTDYRK1ACLK4BACE1
SCHEMBL23128046 0.90 KDR (0.41) KDREGFRGSK3AMAPK10RIOK2
SCHEMBL21167547 0.88 MET (0.38) KDRBACE1NPC1METKLKB1
SCHEMBL21167623 0.88 KDR (0.42) KDREGFRGSK3AMAPK10RIOK2
SCHEMBL21167585 0.87 KDR (0.41) KDRNPC1METKLKB1KLK1
SCHEMBL21167431 0.87 KDM4E (0.42) KDREGFRMAPTNPC1MET
SCHEMBL21167631 0.85 BACE1 (0.44) KDRMAPTBRAFDYRK1ACLK4
SCHEMBL21167816 0.85 NPC1 (0.42) KDRMAPTNPC1METKLKB1
SCHEMBL21167665 0.85 GRM5 (0.43) KDREGFRMAPTBRAFDYRK1A
SCHEMBL21167470 0.85 PDE10A (0.42) KDRAPPBRAFPDGFRBPDGFRA

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