SCHEMBL3811252

SCHEMBL3811252

Cc1nc2c3c(ccc2o1)C(C)N(C(=O)c1cc2ccc(Br)cn2n1)CC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM5 P41594 6/20 0.33
ESR2 Q92731 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 3/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 2/20 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
SCHEMBL3817661 0.89 NPSR1 (0.33) HTTMAPK1GRM5TSHRALDH1A1
SCHEMBL1010251 0.88 ESR2 (0.47) GRM5ESR2TSHRHPGDALDH1A1
SCHEMBL3820245 0.83 GRM5 (0.37) GRM5
SCHEMBL3817104 0.83 ALDH1A1 (0.36) HTTLMNAMAPK1GRM5ESR2
SCHEMBL3819045 0.83 GRM5 (0.36) HTTLMNAMAPK1GRM5ESR2
SCHEMBL3814218 0.83 ALDH1A1 (0.33) HTTLMNAMAPK1GRM5ESR2
SCHEMBL1012852 0.81 GRM5 (0.46) LMNAGRM5ESR2TSHRHPGD
SCHEMBL3820066 0.81 ALDH1A1 (0.36) LMNAMAPK1GRM5ESR2TSHR
SCHEMBL3818176 0.81 HTT (0.33) HTTLMNAMAPK1GRM5ESR2
SCHEMBL3815249 0.80 TACR3 (0.34) HTTLMNAMAPK1GRM5ALDH1A1

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