SCHEMBL3812059

SCHEMBL3812059

CC1c2oc(Br)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM5 P41594 5/20 0.35
GAA P10253 3/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL13720192 0.90 HTT (0.39) HTTLMNAMAPK1GRM5GAA
SCHEMBL3813205 0.90 HTT (0.37) HTTLMNAMAPK1GRM5GAA
SCHEMBL3816872 0.84 HTT (0.37) HTTLMNAMAPK1GRM5GAA
SCHEMBL3815429 0.83 HTT (0.40) HTTLMNAMAPK1GRM5MEN1
SCHEMBL3817616 0.83 HTT (0.40) HTTLMNAMAPK1GRM5GAA
SCHEMBL1870636 0.83 ESR2 (0.53) GRM5GAATSHRHPGDESR2
SCHEMBL3813039 0.82 HTT (0.41) HTTLMNAMAPK1GRM5GAA
SCHEMBL3813334 0.82 TRPC3 (0.44) GRM5RAB9A
SCHEMBL3816775 0.82 TRPC3 (0.44) GRM5RAB9A
SCHEMBL3815639 0.82 TRPC3 (0.44) GRM5RAB9A

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-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 claimed
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
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
WO-2009095253-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) 2009-08-06 WO disclosed