SCHEMBL3821158

SCHEMBL3821158

Cc1sc2c(c1C)N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.41
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3815830 0.88 GRM5 (0.41) GRM5ALDH1A1MAPTTSHR
SCHEMBL3818625 0.85 GRM5 (0.40) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL927944 0.84 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3819333 0.84 GRM5 (0.41) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3819335 0.83 GRM5 (0.36) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3816179 0.83 GRM5 (0.41) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL13720310 0.82 GRM5 (0.40) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3816684 0.82 GRM5 (0.46) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3812874 0.81 ESR2 (0.37) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3820753 0.80 GRM5 (0.40) GRM5ALDH1A1TDP1GAAMAPT

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