SCHEMBL3821039

SCHEMBL3821039

CC1c2ccc3c(c2CCN1C(=O)c1cc2ccc(Br)cn2n1)C(=O)N(C)C3

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.32
PARP1 P09874 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
STAT3 P40763 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
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
SCHEMBL3817040 0.90 MAPK1 (0.34) GRM5PARP1MAPK1
SCHEMBL3813142 0.87 GRM5 (0.33) GRM5
SCHEMBL1011577 0.86 GRM5 (0.47) GRM5ALDH1A1MAPT
SCHEMBL3819045 0.82 GRM5 (0.36) GRM5LMNAMAPK1HTTSTAT3
SCHEMBL3817104 0.81 ALDH1A1 (0.36) GRM5LMNAMAPK1HTTSTAT3
SCHEMBL3812787 0.80 TNKS (0.37) GRM5PARP1LMNAALDH1A1MAPT
SCHEMBL3815429 0.80 HTT (0.40) GRM5LMNAMAPK1HTTKDM4E
SCHEMBL3817616 0.80 HTT (0.40) GRM5LMNAMAPK1HTTALDH1A1
SCHEMBL3820066 0.80 ALDH1A1 (0.36) GRM5PARP1LMNAMAPK1STAT3
SCHEMBL1011176 0.79 GRM5 (0.42) GRM5LMNAMAPK1STAT3ALDH1A1

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