SCHEMBL3814607

SCHEMBL3814607

CN1c2cc(-c3ccnc(F)c3)ccc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.36
ALDH1A1 P00352 3/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3819321 0.93 GRM5 (0.36) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3816143 0.90 HPGD (0.35) GRM5ALDH1A1HPGDKDM4E
SCHEMBL3820193 0.89 GRM5 (0.36) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL931407 0.88 GRM5 (0.49) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3819348 0.85 ALDH1A1 (0.39) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3813937 0.85 GRM5 (0.39) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3820628 0.84 GRM5 (0.35) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3821332 0.84 GRM5 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815795 0.83 CYP11B2 (0.34) ALDH1A1MAPTHPGD
SCHEMBL3820015 0.82 ALDH1A1 (0.40) GRM5ALDH1A1ESR2ESR1POLB

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