SCHEMBL3811207

SCHEMBL3811207

CN1c2cccc(F)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GRM5 P41594 7/20 0.38
ALDH1A1 P00352 4/20 0.38
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
AKT1 P31749 2/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3818411 0.91 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815387 0.89 GRM5 (0.39) NOTUMGRM5ALDH1A1ESR2ESR1
SCHEMBL3821315 0.88 NOTUM (0.40) NOTUMGRM5ALDH1A1MAPTHTR2A
SCHEMBL13720475 0.88 NOTUM (0.40) NOTUMGRM5ALDH1A1ESR2ESR1
SCHEMBL3810581 0.88 NOTUM (0.43) NOTUMGRM5ALDH1A1ESR2ESR1
SCHEMBL3811296 0.87 NOTUM (0.42) NOTUMGRM5ALDH1A1ESR2ESR1
SCHEMBL3820347 0.86 GRM5 (0.37) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL929663 0.85 ALDH1A1 (0.55) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3821305 0.85 GRM5 (0.36) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3812937 0.84 GRM5 (0.39) GRM5ALDH1A1ESR2ESR1POLB

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