SCHEMBL3812977

SCHEMBL3812977

CCC1c2c(F)cccc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.36
LMNA P02545 2/20 0.36
GRM5 P41594 1/20 0.35
RIPK1 Q13546 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3815189 0.89 LMNA (0.36) GRIN2CLMNARIPK1CYP2D6ALDH1A1
SCHEMBL3819392 0.88 RIPK1 (0.46) LMNAGRM5RIPK1CYP2D6ALDH1A1
SCHEMBL3810315 0.86 ALDH1A1 (0.35) GRIN2CLMNAGRM5RIPK1ALDH1A1
SCHEMBL3820038 0.86 GRM5 (0.37) LMNAGRM5RIPK1CYP2D6ALDH1A1
SCHEMBL3812861 0.86 KRAS (0.40) GRIN2CGRM5
SCHEMBL1010730 0.86 GRM5 (0.52) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3819542 0.85 MTNR1B (0.43) GRIN2CALDH1A1ESR1POLBESR2
SCHEMBL3820983 0.83 TP53 (0.35) GRIN2CGRM5CYP2D6ALDH1A1ESR1
SCHEMBL3816808 0.80 MTNR1B (0.39) GRIN2CGRM5
SCHEMBL3815380 0.79 GRM5 (0.35) GRIN2CLMNAGRM5RIPK1

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