SCHEMBL3817023

SCHEMBL3817023

CC1c2c(F)csc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.38
CFTR P13569 3/20 0.33
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL3812580 0.90 GRM5 (0.38) GRM5CFTRALDH1A1GAATP53
SCHEMBL3820340 0.89 GRM5 (0.38) GRM5CFTRTRPC3TRPC6
SCHEMBL3820177 0.86 GRM5 (0.36) GRM5CFTRALDH1A1ESR1POLB
SCHEMBL3814051 0.84 CFTR (0.36) GRM5CFTRALDH1A1ESR1POLB
SCHEMBL3815924 0.84 GRM5 (0.44) GRM5
SCHEMBL1876281 0.84 GRM5 (0.54) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3812536 0.83 GRM5 (0.36) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3820397 0.83 GRM5 (0.38) GRM5CFTRALDH1A1GAATP53
SCHEMBL3819392 0.83 RIPK1 (0.46) GRM5CFTRALDH1A1ESR1POLB
SCHEMBL3815590 0.81 HTT (0.40) GRM5ALDH1A1GAAMAPTRAB9A

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