SCHEMBL3820182

SCHEMBL3820182

CN1c2ccccc2CCN1C(=O)c1cc2c([N+](=O)[O-])cc(Br)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GRM5 P41594 2/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3821083 0.89 GAA (0.41) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL3824171 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GRM5ALDH1A1RAB9ALMNA
SCHEMBL3816897 0.83 ALDH1A1 (0.40) SMN1; SMN2KMT2AGRM5ALDH1A1RAB9A
SCHEMBL3821167 0.82 HPGD (0.55) SMN1; SMN2KMT2AGRM5MAPTALDH1A1
SCHEMBL3819293 0.80 TRPC3 (0.40) SMN1; SMN2GRM5MAPTMAPK1PKM
SCHEMBL3814391 0.80 TRPC3 (0.40) SMN1; SMN2GRM5MAPTMAPK1PKM
SCHEMBL3816059 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1GRM5ALDH1A1
SCHEMBL928811 0.79 GRM5 (0.60) SMN1; SMN2GRM5MAPTALDH1A1HPGD
SCHEMBL3819023 0.77 SPR (0.41) SMN1; SMN2MAPTALDH1A1RAB9ALMNA
SCHEMBL3817222 0.74 ALDH1A1 (0.40) SMN1; SMN2KMT2AMAPTALDH1A1RAB9A

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