SCHEMBL3820186

SCHEMBL3820186

O=C(c1cc2ccc(Br)cn2n1)N1CCn2cnnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
SCN9A Q15858 1/20 0.41
SPR P35270 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 3/20 0.37
ESR1 P03372 2/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 3/20 0.37
TSHR P16473 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 3/20 0.37
CDK1 P06493 1/20 0.36
MYT1 Q01538 1/20 0.36
PARP1 P09874 2/20 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
SCHEMBL3816866 0.87 NAMPT (0.44) NAMPTSCN9ASPRALDH1A1DPP4
SCHEMBL3814192 0.83 NAMPT (0.42) NAMPTSCN9ASPRALDH1A1TDP1
SCHEMBL3820000 0.83 SCD (0.50) NAMPTSPRALDH1A1TDP1GAA
SCHEMBL3812669 0.82 P2RX7 (0.48) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL927963 0.82 ALDH1A1 (0.61) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL13720180 0.82 HDAC6 (0.44) NAMPTALDH1A1TDP1GAAMAPT
SCHEMBL3813994 0.81 P2RX7 (0.51) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3818093 0.80 P2RX7 (0.43) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3820194 0.79 GRM5 (0.41) SPRALDH1A1TDP1GAAMAPT
SCHEMBL3818796 0.79 SCN9A (0.40) NAMPTSCN9ASPRALDH1A1TDP1

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