SCHEMBL3817010

SCHEMBL3817010

O=C(c1cc2ccc(Br)cn2n1)N1CCn2nncc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 8/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL3817120 0.87 NAMPT (0.42) NAMPTALDH1A1L3MBTL1TSHRGRM5
SCHEMBL3816360 0.83 ALDH1A1 (0.40) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL927832 0.83 ALDH1A1 (0.63) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3817189 0.81 ALDH1A1 (0.41) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3820097 0.80 ALDH1A1 (0.40) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3820194 0.79 GRM5 (0.41) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3813232 0.78 ALDH1A1 (0.40) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3812876 0.78 ALDH1A1 (0.38) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL3813228 0.78 ALDH1A1 (0.36) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL4182205 0.78 KDM4E (0.34) ALDH1A1GAAMAPTKDM4E

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