SCHEMBL3817484

SCHEMBL3817484

COc1cc(Cl)cn2nc(C(=O)N3CCn4cccc4C3C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.52
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRA2C P18825 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33
MGLL Q99685 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3820041 0.89 SHMT2 (0.47) SHMT2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3810582 0.88 SHMT2 (0.46) SHMT2ALDH1A1ADRA2CL3MBTL1TACR3
SCHEMBL3812679 0.83 SHMT2 (0.40) SHMT2ALDH1A1MEN1KMT2AADRA2C
SCHEMBL3813227 0.81 SHMT2 (0.44) SHMT2ALDH1A1ADRA2CL3MBTL1MAPT
SCHEMBL3820127 0.81 KMT2A (0.47) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL3816874 0.81 KMT2A (0.47) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL930779 0.80 GRM5 (0.45) SHMT2ALDH1A1ADRA2CL3MBTL1MAPT
SCHEMBL3820434 0.79 SHMT2 (0.39) SHMT2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3819266 0.77 KMT2A (0.44) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL3820563 0.77 KMT2A (0.41) ALDH1A1MEN1KMT2AMAPTPOLB

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