SCHEMBL3821030

SCHEMBL3821030

CC1c2ccc(-c3cccnc3F)cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP2C19 P33261 1/20 0.34
GRIA2 P42262 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
POLB P06746 1/20 0.33
BACE1 P56817 3/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
QRFPR Q96P65 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 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
SCHEMBL3813340 0.93 GRM5 (0.38) GRM5PRMT5WDR77CYP2C19GRIA2
SCHEMBL13719904 0.90 PRMT5 (0.36) GRM5PRMT5WDR77CYP2C19GRIA2
SCHEMBL3810605 0.90 GRM5 (0.40) GRM5PRMT5WDR77CYP2C19GRIA2
SCHEMBL3820363 0.89 KDM4E (0.37) GRM5ALDH1A1KDM4EMAPK1HTT
SCHEMBL1010998 0.88 GRM5 (0.53) GRM5ALDH1A1ESR1ESR2POLB
SCHEMBL3812428 0.87 GRM5 (0.35) GRM5ALDH1A1ESR1ESR2POLB
SCHEMBL3816757 0.86 GRM5 (0.38) GRM5PRMT5WDR77ALDH1A1KDM4E
SCHEMBL3817993 0.84 GRM5 (0.39) GRM5PRMT5WDR77CYP2C19GRIA2
SCHEMBL3816089 0.84 ESR1 (0.36) GRM5GRIA2ALDH1A1ESR1ESR2
SCHEMBL3813057 0.84 CYP11B2 (0.43) GRM5MCHR1

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