SCHEMBL22475868

SCHEMBL22475868

CSNc1ccc(-c2ccc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
AR P10275 1/20 0.36
MET P08581 11/20 0.35
PDK1 Q15118 2/20 0.33
DYRK1A Q13627 1/20 0.33
SSTR3 P32745 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CDKL5 O76039 1/20 0.32

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
SCHEMBL21167576 0.88 MET (0.37) HDAC3ARMETDYRK1ANPC1
SCHEMBL22475688 0.87 HDAC3 (0.42) HDAC3ARMETPDK1
SCHEMBL22475836 0.85 MET (0.35) HDAC3ARMETNPC1
SCHEMBL21167331 0.84 SYK (0.37) HDAC3METDYRK1APDE10A
SCHEMBL21167377 0.83 MAT2A (0.39) HDAC3METDYRK1APDE10A
SCHEMBL22475938 0.82 MET (0.48) HDAC3METDYRK1ANPC1POLB
SCHEMBL22475827 0.81 MET (0.56) HDAC3METCDKL5
SCHEMBL23127972 0.80 PIK3CD (0.42) HDAC3METPDK1PDE10A
SCHEMBL22475826 0.78 MET (0.52) METPDE10A
SCHEMBL21171666 0.78 CNR2 (0.46) METPDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed