SCHEMBL21167606

SCHEMBL21167606

COCCOc1cc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.41
WNT3A P56704 2/20 0.38
BACE1 P56817 1/20 0.37
NPC1 O15118 1/20 0.36
KDR P35968 6/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HDAC3 O15379 1/20 0.35
ANO1 Q5XXA6 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
SCHEMBL21167571 0.88 PIK3CD (0.43) SYKBACE1NPC1KDRHDAC6
SCHEMBL22475846 0.87 SYK (0.44) SYKBACE1KDR
SCHEMBL22475845 0.87 SYK (0.46) SYKNPC1KDR
SCHEMBL21167709 0.86 SYK (0.42) SYKWNT3ANPC1KDR
SCHEMBL21167708 0.81 SYK (0.53) SYKKDR
SCHEMBL22475954 0.81 MET (0.35) HDAC3ANO1
SCHEMBL22475671 0.80 MET (0.44) SYK
SCHEMBL21167474 0.78 SYK (0.48) SYKWNT3ANPC1KDRHDAC6
SCHEMBL19961116 0.77 SYK (0.46) SYKWNT3ANPC1KDRHDAC3
SCHEMBL24591018 0.77 MET (0.50) SYKNPC1KDRHDAC3

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