SCHEMBL21167759

SCHEMBL21167759

Cn1cc(-c2ccc(N)c(N(N)Cc3ccc4ncsc4c3)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PFKFB3 Q16875 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
RIPK2 O43353 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
FGFR3 P22607 6/20 0.36
KDR P35968 4/20 0.36
FGFR1 P11362 5/20 0.36
FGFR2 P21802 5/20 0.36

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
SCHEMBL21167701 0.87 MET (0.37) PIK3CAFGFR3KDRFGFR1FGFR2
SCHEMBL21167449 0.76 MET (0.41) DYRK1APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12482706 0.74 MET (0.54) MET
SCHEMBL21167577 0.74 MET (0.52) DYRK1AMETMKNK1CSF1R
SCHEMBL21167373 0.73 CSF1R (0.57) DYRK1AWNT1GSK3BPIK3CDPIK3CA
SCHEMBL21167613 0.72 MET (0.53) MET
SCHEMBL23191356 0.72 MET (0.47) FGFR3KDRMET
SCHEMBL22475826 0.72 MET (0.52) MET
SCHEMBL21167712 0.71 MET (0.43) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21167772 0.70 MET (0.54) MET

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