SCHEMBL21167804

SCHEMBL21167804

N#Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.47
HDAC1 Q13547 1/20 0.46
SYK P43405 5/20 0.45
ADORA2A P29274 1/20 0.39
HDAC3 O15379 1/20 0.39
KCNA5 P22460 1/20 0.38
NPC1 O15118 1/20 0.38
KDR P35968 3/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL22475874 0.90 MET (0.46) METHDAC1SYKADORA2AHDAC3
SCHEMBL21167638 0.87 SYK (0.46) METSYKHDAC3NPC1KDR
SCHEMBL21167474 0.86 SYK (0.48) METHDAC1SYKHDAC3NPC1
SCHEMBL21167803 0.86 MET (0.45) METHDAC1SYKADORA2AKCNA5
SCHEMBL21167387 0.83 SYK (0.48) METSYKHDAC3NPC1KDR
SCHEMBL22754358 0.81 SYK (0.47) METSYKHDAC3NPC1KDR
SCHEMBL21167571 0.80 PIK3CD (0.43) METHDAC1SYKHDAC3NPC1
SCHEMBL21167394 0.80 SYK (0.39) METSYKHDAC3NPC1KDR
SCHEMBL24591018 0.79 MET (0.50) METSYKHDAC3NPC1KDR
SCHEMBL22754381 0.79 SYK (0.47) METSYKHDAC3NPC1KDR

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-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 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