SCHEMBL21167653

SCHEMBL21167653

COc1cncc(Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
IGF1R P08069 4/20 0.41
BRAF P15056 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KDR P35968 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
NOS1 P29475 1/20 0.38
PIK3CA P42336 1/20 0.37
APP P05067 2/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ROCK1 Q13464 1/20 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
SCHEMBL22475714 0.89 BACE1 (0.41) BACE1IGF1RBRAFPDE10AKDR
SCHEMBL21167631 0.89 BACE1 (0.44) BACE1IGF1RBRAFPDE10AKDR
SCHEMBL21167711 0.86 KDR (0.42) PDE10AKDRNPC1MAPTAPP
SCHEMBL21167731 0.86 NPC1 (0.43) BACE1KDRNPC1MAPT
SCHEMBL21167623 0.84 KDR (0.42) IGF1RKDRNPC1MAPTNOS1
SCHEMBL21167658 0.83 NPC1 (0.45) KDRNPC1MAPT
SCHEMBL21167729 0.83 IGF1R (0.42) IGF1RBRAFPDE10AKDRNPC1
SCHEMBL21167632 0.83 BRAF (0.41) BACE1IGF1RBRAFPDE10AKDR
SCHEMBL21167727 0.82 ROCK1 (0.42) BACE1IGF1RKDRNPC1MAPT
SCHEMBL16882503 0.82 BRAF (0.40) BACE1IGF1RBRAFPDE10AKDR

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