SCHEMBL3821163

SCHEMBL3821163

COC(=O)c1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Cl)cn3n1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
F11 P03951 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GRIN2C Q14957 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL3813988 0.94 MEN1 (0.43) KMT2AMEN1F11LMNATP53
SCHEMBL3813622 0.90 HTT (0.39) KMT2AMEN1LMNATP53KDM4E
SCHEMBL3816607 0.88 KMT2A (0.42) KMT2AMEN1LMNATP53KDM4E
SCHEMBL3815574 0.87 KMT2A (0.45) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL3810668 0.85 KMT2A (0.41) KMT2AMEN1LMNATP53KDM4E
SCHEMBL1010997 0.85 GRM5 (0.46) KMT2AMEN1F11LMNATP53
SCHEMBL13720077 0.85 HCRTR2 (0.39) KMT2AMEN1LMNATP53KDM4E
SCHEMBL3813007 0.85 KMT2A (0.59) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL3816662 0.84 PHGDH (0.43) KMT2AMEN1LMNATP53KDM4E
SCHEMBL3818792 0.84 KMT2A (0.39) KMT2AMEN1LMNAKDM4EHTT

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 3 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
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