SCHEMBL3813952

SCHEMBL3813952

CC1c2ccc(-c3ccncc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR3 P29371 2/20 0.34
TP53 P04637 1/20 0.31
KCNH2 Q12809 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3811860 0.90 GAA (0.34) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3810710 0.89 ALDH1A1 (0.33) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3816664 0.89 GAA (0.34) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3819602 0.89 MAPT (0.35) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3820013 0.88 ALDH1A1 (0.33) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3817563 0.86 ALDH1A1 (0.33) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL928874 0.85 ALDH1A1 (0.48) GAAALDH1A1MAPTKMT2ATDP1
SCHEMBL3811828 0.85 ALDH1A1 (0.39) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3815517 0.85 TACR3 (0.40) TACR3KCNH2
SCHEMBL3813543 0.85 TACR3 (0.40) GAAALDH1A1MAPTKDM4EMEN1

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