SCHEMBL3817899

SCHEMBL3817899

CC1c2cccc(N3CCOCC3)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.39
AKT1 P31749 8/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 1/20 0.37
F11 P03951 2/20 0.36
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL3811352 0.90 KLKB1 (0.43) KLKB1AKT1F11
SCHEMBL3815771 0.87 TSHR (0.43) TSHRHPGDESR2F11ALDH1A1
SCHEMBL3816555 0.87 TSHR (0.37) AKT1TSHRHPGDESR2PIK3CD
SCHEMBL1010451 0.86 ESR2 (0.56) TSHRHPGDESR2ALDH1A1
SCHEMBL3819045 0.86 GRM5 (0.36) KLKB1TSHRESR2F11ALDH1A1
SCHEMBL3817104 0.84 ALDH1A1 (0.36) TSHRESR2ALDH1A1LMNA
SCHEMBL3820066 0.83 ALDH1A1 (0.36) KLKB1TSHRESR2F11ALDH1A1
SCHEMBL3816550 0.83 TSHR (0.38) TSHRHPGDESR2LMNA
SCHEMBL3816389 0.83 NPC1 (0.35) TSHRESR2ALDH1A1LMNA
SCHEMBL3817567 0.82 SMN1; SMN2 (0.39) HPGDESR2ALDH1A1LMNA

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