SCHEMBL3816668

SCHEMBL3816668

CN1c2ccc(Br)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3812491 0.93 NOTUM (0.39) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3821061 0.92 NOTUM (0.40) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL13720384 0.92 NOTUM (0.40) GRM5SLC22A12ALDH1A1TDP1GAA
SCHEMBL3817105 0.92 SLC22A12 (0.40) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3813937 0.91 GRM5 (0.39) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3816059 0.90 SMN1; SMN2 (0.43) GRM5ALDH1A1TDP1GAAESR2
SCHEMBL3814317 0.90 NOTUM (0.42) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3810533 0.89 NOTUM (0.43) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3821745 0.89 ROCK1 (0.36) GRM5MAPT
SCHEMBL3818786 0.88 GRM5 (0.36) GRM5

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 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