SCHEMBL3814929

SCHEMBL3814929

COc1ncc(-c2ccc3c(c2)CCN(C(=O)c2cc4ccc(Br)cn4n2)C3C)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
GRM5 P41594 3/20 0.38
HTT P42858 4/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
QRFPR Q96P65 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GRIN2C Q14957 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
SCHEMBL3811077 0.94 GRM5 (0.39) PPARDGRM5HTTMAPK1LMNA
SCHEMBL3812015 0.91 PPARD (0.41) PPARDHTTKMT2AMEN1KDM4E
SCHEMBL1010622 0.89 GRM5 (0.50) PPARDGRM5KMT2AGAAALDH1A1
SCHEMBL3820630 0.88 GRM5 (0.41) GRM5HTTMAPK1LMNAKMT2A
SCHEMBL3821004 0.87 KLKB1 (0.37) PPARDGRM5HTTMAPK1LMNA
SCHEMBL3820363 0.87 KDM4E (0.37) GRM5HTTMAPK1LMNAKMT2A
SCHEMBL3813995 0.85 MEN1 (0.40) PPARDGRM5HTTMAPK1LMNA
SCHEMBL13719891 0.85 PPARD (0.38) PPARDGRM5HTTMAPK1LMNA
SCHEMBL1009680 0.83 GRM5 (0.52) GRM5KMT2AGAAALDH1A1TSHR
SCHEMBL1009219 0.83 GRM5 (0.41) PPARDGRM5HTTLMNAKMT2A

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 3 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
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