SCHEMBL3811682

SCHEMBL3811682

Cc1coc2c1N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
ESR2 Q92731 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GRM5 P41594 11/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3821059 0.88 MAPT (0.35) ALDH1A1L3MBTL1GRM5TSHRLMNA
SCHEMBL3812874 0.84 ESR2 (0.37) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL928771 0.84 ESR2 (0.53) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3817214 0.82 ESR2 (0.40) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3813333 0.81 ESR2 (0.35) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3820753 0.81 GRM5 (0.40) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3819425 0.80 GRM5 (0.36) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3818625 0.80 GRM5 (0.40) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3811763 0.80 ESR2 (0.36) ALDH1A1ESR2TDP1ESR1L3MBTL1
SCHEMBL3821158 0.79 GRM5 (0.41) ALDH1A1ESR2TDP1ESR1L3MBTL1

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