SCHEMBL21167726

SCHEMBL21167726

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
AURKA O14965 2/20 0.38
RPS6KB1 P23443 1/20 0.38
IGF1R P08069 2/20 0.37
FBP1 P09467 1/20 0.37
AURKB Q96GD4 1/20 0.36
EGFR P00533 2/20 0.36
NPC1 O15118 1/20 0.36
KDR P35968 4/20 0.36
NOS1 P29475 1/20 0.36
KCNH3 Q9ULD8 1/20 0.35
BACE1 P56817 1/20 0.35
HDAC6 Q9UBN7 1/20 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
SCHEMBL21167727 0.90 ROCK1 (0.42) SYKROCK1ROCK2PRKACAPRKCD
SCHEMBL22475714 0.83 BACE1 (0.41) SYKDYRK1AIGF1REGFRNPC1
SCHEMBL22475999 0.82 IGF1R (0.41) SYKIGF1RNPC1KDRHDAC6
SCHEMBL21167733 0.81 NPC1 (0.42) SYKNPC1KDRBACE1HDAC6
SCHEMBL22475819 0.81 NPC1 (0.43) SYKNPC1KDRHDAC6
SCHEMBL22475963 0.80 KDR (0.43) SYKDYRK1AIGF1REGFRNPC1
SCHEMBL21167464 0.78 NPC1 (0.36) SYKDYRK1AAURKARPS6KB1NPC1
SCHEMBL22475673 0.77 KDR (0.40) SYKAURKARPS6KB1IGF1RAURKB
SCHEMBL24591002 0.77 NPC1 (0.35) DYRK1AAURKARPS6KB1NPC1KDR
SCHEMBL22475925 0.76 BRAF (0.37) IGF1RNPC1KDRBACE1HDAC6

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-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