SCHEMBL13719953

SCHEMBL13719953

Bc1ccc2cc(C(=O)N3CCc4c(NC(C)=O)cccc4C3C)nn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.39
KLKB1 P03952 1/20 0.39
ADRA2A P08913 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK7 P50613 1/20 0.32
TYRO3 Q06418 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
DYRK1B Q9Y463 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
SCHEMBL3810553 0.89 F11 (0.43) F11KLKB1ADRA2ANPC1RAB9A
SCHEMBL3817241 0.89 F11 (0.39) F11KLKB1ADRA2ANPC1RAB9A
SCHEMBL8212864 0.86 F11 (0.38) F11KLKB1ADRA2ARAB9AALDH1A1
SCHEMBL13719671 0.81 BCL2 (0.41) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL13719736 0.80 MEN1 (0.36) NPC1RAB9AALDH1A1L3MBTL1TRPC3
SCHEMBL13719700 0.79 GRM5 (0.34) F11KLKB1ALDH1A1TRPC3TRPC6
SCHEMBL13719858 0.79 PARP1 (0.37) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL1011045 0.79 GRM5 (0.43) F11KLKB1ADRA2ARAB9AALDH1A1
SCHEMBL1010236 0.79 GRM5 (0.48) RAB9AALDH1A1L3MBTL1MAPTPOLB
SCHEMBL13719560 0.78 SPR (0.31)

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-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed