SCHEMBL21167394

SCHEMBL21167394

N#Cc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.39
KDR P35968 4/20 0.38
HDAC3 O15379 1/20 0.37
MET P08581 4/20 0.37
NOS1 P29475 1/20 0.36
HDAC4 P56524 1/20 0.35
EP300 Q09472 1/20 0.35
MEF2D Q14814 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSPA5 P11021 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21167603 0.83 SYK (0.40) SYKNPC1KDRHDAC3MET
SCHEMBL22475896 0.82 SYK (0.39) SYKNPC1KDRHDAC3MET
SCHEMBL21167740 0.82 NPC1 (0.49) SYKNPC1KDRHDAC3MET
SCHEMBL21167789 0.82 SYK (0.49) SYKKCNH2HRH3NPC1KDR
SCHEMBL21167594 0.81 SYK (0.44) SYKNPC1KDRHDAC3MET
SCHEMBL21167638 0.80 SYK (0.46) SYKNPC1KDRHDAC3MET
SCHEMBL21167395 0.80 KCNH2 (0.39) KCNH2HRH3NPC1HDAC3MET
SCHEMBL21167804 0.80 MET (0.47) SYKNPC1KDRHDAC3MET
SCHEMBL1330149 0.78 NPC1 (0.47) SYKNPC1KDRHDAC3MET
SCHEMBL22754358 0.76 SYK (0.47) SYKNPC1KDRHDAC3MET

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