SCHEMBL21167727

SCHEMBL21167727

COCCOc1cccc(Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
SYK P43405 1/20 0.41
NOS1 P29475 1/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 1/20 0.39
IGF1R P08069 2/20 0.38
FBP1 P09467 1/20 0.38
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDR P35968 1/20 0.37
APP P05067 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EGFR P00533 2/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL21167726 0.90 SYK (0.40) ROCK1ROCK2PRKACAPRKCDDYRK1A
SCHEMBL21167464 0.89 NPC1 (0.36) DYRK1ASYKAURKARPS6KB1BACE1
SCHEMBL22475846 0.84 SYK (0.44) DYRK1ASYKAURKARPS6KB1BACE1
SCHEMBL21167653 0.82 BACE1 (0.42) ROCK1DYRK1ANOS1IGF1RBACE1
SCHEMBL21167729 0.82 IGF1R (0.42) ROCK1SYKAURKAIGF1RNPC1
SCHEMBL21167549 0.81 NPC1 (0.42) SYKIGF1RNPC1KDRHDAC6
SCHEMBL21167731 0.80 NPC1 (0.43) SYKBACE1NPC1KDRHDAC6
SCHEMBL21167658 0.80 NPC1 (0.45) SYKNPC1KDRHDAC6EGFR
SCHEMBL22475845 0.80 SYK (0.46) DYRK1ASYKNPC1KDRMAPT
SCHEMBL21167661 0.78 NPC1 (0.45) DYRK1ASYKNPC1KDRHDAC6

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