SCHEMBL3813237

SCHEMBL3813237

Cc1n[nH]cc1-c1cccc2c1C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.33
PARP1 P09874 3/20 0.33
RIPK1 Q13546 1/20 0.32
HTT P42858 3/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SPR P35270 3/20 0.30
CFTR P13569 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL3810606 0.90 PARP1 (0.36) GRM5PARP1RIPK1MEN1KMT2A
SCHEMBL3821854 0.88 GRM5 (0.31) GRM5MAPTALDH1A1
SCHEMBL1009528 0.87 GRM5 (0.48) GRM5GAAMAPTKMT2AALDH1A1
SCHEMBL3820726 0.86 HTT (0.35) GRM5HTTMAPK1LMNAGAA
SCHEMBL4559837 0.86 DRD1 (0.34) SPR
SCHEMBL3821027 0.85 ROCK2 (0.39) GRM5PARP1
SCHEMBL3811690 0.84 MAPK1 (0.35) GRM5PARP1HTTMAPK1LMNA
SCHEMBL3819347 0.84 GPR35 (0.35) GRM5PARP1HTTHPGD
SCHEMBL3815739 0.83 GRM5 (0.35) GRM5PARP1RIPK1HTTMAPK1
SCHEMBL3811221 0.82 ALDH1A1 (0.38) GRM5PARP1RIPK1HTTMAPK1

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