SCHEMBL21167387

SCHEMBL21167387

CNc1ccc(-c2ccc(N)c(NCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.48
KDR P35968 4/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MET P08581 1/20 0.40
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 1/20 0.39
SSTR3 P32745 1/20 0.39
WNT3A P56704 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL21167474 0.89 SYK (0.48) SYKKDRMETHDAC3NPC1
SCHEMBL22475701 0.89 SYK (0.46) SYKKDRMETMAPTSSTR3
SCHEMBL21167638 0.88 SYK (0.46) SYKKDRMETHDAC3DYRK1A
SCHEMBL21167661 0.86 NPC1 (0.45) SYKKDRKLKB1KLK1MET
SCHEMBL24591075 0.86 SYK (0.40) SYKKDRMETMAPTCLK1
SCHEMBL21167804 0.83 MET (0.47) SYKKDRMETHDAC3NPC1
SCHEMBL21167571 0.82 PIK3CD (0.43) SYKKDRMETHDAC3CLK1
SCHEMBL22754358 0.82 SYK (0.47) SYKKDRMETMAPTHDAC3
SCHEMBL22754381 0.82 SYK (0.47) SYKKDRMETHDAC3NPC1
SCHEMBL22754391 0.81 SYK (0.43) SYKKDRMETHDAC3CLK1

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