SCHEMBL3816623

SCHEMBL3816623

COc1ccc2c(c1)N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.42
NOTUM Q6P988 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PRMT5 O14744 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GRIN2C Q14957 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA7 P43166 1/20 0.34
BIRC2 Q13490 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
SCHEMBL3814317 0.92 NOTUM (0.42) GRM5NOTUMESR1ESR2HDAC1
SCHEMBL3813937 0.90 GRM5 (0.39) GRM5ESR1ESR2SMN1; SMN2BIRC2
SCHEMBL3816462 0.89 MAPT (0.36) GRM5NOTUMESR1ESR2HDAC1
SCHEMBL3820015 0.87 ALDH1A1 (0.40) GRM5ESR1ESR2RAB9ASMN1; SMN2
SCHEMBL3819348 0.86 ALDH1A1 (0.39) GRM5NOTUMESR1ESR2SMN1; SMN2
SCHEMBL13719819 0.86 GRM5 (0.41) GRM5NOTUMESR1ESR2SMN1; SMN2
SCHEMBL929617 0.86 GRM5 (0.58) GRM5ESR1ESR2MAPTALDH1A1
SCHEMBL3816059 0.85 SMN1; SMN2 (0.43) GRM5ESR1ESR2RAB9ASMN1; SMN2
SCHEMBL3816668 0.84 GRM5 (0.39) GRM5ESR1ESR2MAPTALDH1A1
SCHEMBL3814030 0.84 CNR2 (0.38) GRM5NOTUMESR1ESR2BIRC2

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