SCHEMBL3821054

SCHEMBL3821054

COc1cc(Br)cn2nc(C(=O)N3CCc4ccccc4[C@H]3C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GRM5 P41594 2/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
RIPK1 Q13546 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL3812898 1.00 HTT (0.45) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL3816874 0.89 KMT2A (0.47) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL3820127 0.89 KMT2A (0.47) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL3816778 0.88 TRPC3 (0.43) HTTLMNAMAPK1GRM5TRPC3
SCHEMBL3814941 0.88 TRPC3 (0.43) HTTLMNAMAPK1GRM5TRPC3
SCHEMBL3813787 0.88 KMT2A (0.45) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL4022777 0.87 TRPC3 (0.42) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL4179280 0.86 TRPC3 (0.41) HTTLMNAMAPK1GRM5TRPC3
SCHEMBL4025530 0.85 TRPC3 (0.41) HTTLMNAMAPK1GRM5TRPC3
SCHEMBL4183682 0.85 TRPC3 (0.43) ALDH1A1GRM5TRPC3TRPC6RIPK1

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