SCHEMBL3813787

SCHEMBL3813787

COc1cc(Br)cn2nc(C(=O)N3CCc4ccc(F)cc4C3C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
HTT P42858 4/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL3813802 0.90 KMT2A (0.47) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3817670 0.89 PARP1 (0.41) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3812898 0.88 HTT (0.45) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3821054 0.88 HTT (0.45) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3812614 0.84 PARP1 (0.38) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL4173155 0.82 PARP1 (0.42) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3815100 0.82 PARP1 (0.42) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3815288 0.81 HTT (0.42) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL3814049 0.81 KMT2A (0.44) KMT2AHTTMAPK1LMNAMEN1
SCHEMBL8217997 0.80 ESR2 (0.55) KMT2AKDM4EGAAMAPTHSD17B10

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