SCHEMBL3820003

SCHEMBL3820003

CC(C)NC(=O)c1ccc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL3821033 0.90 MAPT (0.35) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3819952 0.89 MAPT (0.34) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3816915 0.88 KDM4E (0.35) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3820926 0.88 MAPT (0.34) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3820007 0.86 POLB (0.35) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL929942 0.86 TDP1 (0.48) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3811828 0.84 ALDH1A1 (0.39) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3816652 0.83 ALDH1A1 (0.51) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3821005 0.82 ALDH1A1 (0.38) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL3817828 0.80 NR1H2 (0.37) ALDH1A1MAPTGAAKMT2ASMN1; SMN2

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