SCHEMBL3816163

SCHEMBL3816163

CC1c2nc(-c3cccnc3F)cn2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.33
GRM5 P41594 1/20 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
P2RX7 Q99572 1/20 0.30
MTOR P42345 1/20 0.30
PDE2A O00408 1/20 0.30
PDE5A O76074 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL3822949 0.90 P2RX7 (0.33) TACR3GRM5ALDH1A1P2RX7
SCHEMBL929465 0.88 GRM5 (0.47) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3814170 0.84 TACR3 (0.35) TACR3GRM5ALDH1A1ESR1POLB
SCHEMBL3814008 0.84 TACR3 (0.45) TACR3P2RX7
SCHEMBL3821209 0.83 TACR3 (0.38) TACR3GRM5ALDH1A1ESR1POLB
SCHEMBL3812428 0.82 GRM5 (0.35) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL929133 0.81 GRM5 (0.40) TACR3GRM5ALDH1A1ESR1POLB
SCHEMBL3815154 0.81 ALDH1A1 (0.38) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3816154 0.81 GRM5 (0.34) TACR3GRM5ALDH1A1ESR1ESR2
SCHEMBL3821030 0.79 GRM5 (0.38) GRM5ALDH1A1ESR1POLBESR2

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