SCHEMBL3813124

SCHEMBL3813124

CN1c2ccncc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.41
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 3/20 0.35
ESR1 P03372 2/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NAMPT P43490 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
SCHEMBL3822131 0.92 GRM5 (0.40) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3819325 0.88 GRM5 (0.35) GRM5ALDH1A1NAMPT
SCHEMBL13720813 0.88 GRM5 (0.33) GRM5ALDH1A1GAAPOLBTSHR
SCHEMBL3816668 0.88 GRM5 (0.39) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3816059 0.87 SMN1; SMN2 (0.43) GRM5ALDH1A1TDP1GAAESR2
SCHEMBL3818786 0.87 GRM5 (0.36) GRM5
SCHEMBL929331 0.86 GRM5 (0.56) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3813937 0.85 GRM5 (0.39) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3812491 0.85 NOTUM (0.39) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3820193 0.85 GRM5 (0.36) 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