SCHEMBL21167713

SCHEMBL21167713

Cc1cccc(Nc2ccc(N)c(NCc3ccc4ncccc4c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.43
NPC1 O15118 2/20 0.41
KDR P35968 3/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TGFBR1 P36897 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
SYK P43405 2/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL24591086 0.87 NPC1 (0.47) NPC1KDRSYKHDAC3
SCHEMBL21167549 0.86 NPC1 (0.42) NPC1KDRTGFBR1SYKHDAC3
SCHEMBL22476000 0.85 GRM5 (0.41) GRM5NPC1KDRRAB9AL3MBTL1
SCHEMBL21167661 0.85 NPC1 (0.45) NPC1KDRSYKHDAC3
SCHEMBL21167596 0.84 MAPT (0.43) NPC1KDRRAB9ASYKHDAC3
SCHEMBL21167658 0.83 NPC1 (0.45) NPC1KDRSYKHDAC3
SCHEMBL21167590 0.82 SYK (0.43) NPC1KDRRAB9AL3MBTL1TGFBR1
SCHEMBL21167711 0.82 KDR (0.42) NPC1KDRRAB9ASYKHDAC3
SCHEMBL21167623 0.82 KDR (0.42) NPC1KDRSYKHDAC3
SCHEMBL21167731 0.81 NPC1 (0.43) NPC1KDRRAB9AL3MBTL1SYK

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