SCHEMBL22475720

SCHEMBL22475720

N=Nc1ccc(-c2cn[nH]c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.49
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
NPC1 O15118 1/20 0.38
KDR P35968 9/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
AKT3 Q9Y243 2/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SYK P43405 2/20 0.36
FLT1 P17948 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL24591018 0.85 MET (0.50) METCCNKCDK12NPC1KDR
SCHEMBL21167476 0.83 WNT3A (0.40) METNPC1KDRKCNH2HRH3
SCHEMBL21167707 0.81 MET (0.48) METKDRSYK
SCHEMBL24591075 0.81 SYK (0.40) METNPC1KDRSYKFLT1
SCHEMBL22475774 0.80 NPC1 (0.39) NPC1KDRSYKFLT1
SCHEMBL21167803 0.80 MET (0.45) METNPC1KDRSYKFLT1
SCHEMBL24591141 0.78 MET (0.54) MET
SCHEMBL24591122 0.78 MET (0.44) MET
SCHEMBL12544699 0.76 MET (0.45) METNPC1KDRSYK
SCHEMBL23127852 0.76 MET (0.44) 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 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