SCHEMBL3813622

SCHEMBL3813622

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3816687 0.93 HTT (0.39) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3821163 0.90 KMT2A (0.43) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3817616 0.88 HTT (0.40) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3816631 0.87 HTT (0.43) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3810902 0.85 KMT2A (0.41) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL1010734 0.85 GRM5 (0.54) LMNAKMT2AGRM5ALDH1A1GAA
SCHEMBL3811886 0.85 TSHR (0.43) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL4173155 0.85 PARP1 (0.42) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3814000 0.85 GRM5 (0.39) HTTMAPK1LMNAKMT2AMEN1
SCHEMBL3815100 0.85 PARP1 (0.42) HTTMAPK1LMNAKMT2AMEN1

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