SCHEMBL3812787

SCHEMBL3812787

CC1c2ccc3c(c2CCN1C(=O)c1cc2ccc(Br)cn2n1)CCCN3C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
GRM5 P41594 2/20 0.33
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3819764 0.89 MAPK1 (0.34) GRM5TP53ALDH1A1LMNATSHR
SCHEMBL1009694 0.86 ALDH1A1 (0.49) GRM5GAAALDH1A1TSHRMAPT
SCHEMBL3817104 0.84 ALDH1A1 (0.36) GRM5GAAALDH1A1LMNATSHR
SCHEMBL3819045 0.84 GRM5 (0.36) GRM5GAAALDH1A1LMNATSHR
SCHEMBL3813142 0.83 GRM5 (0.33) GRM5
SCHEMBL3820066 0.81 ALDH1A1 (0.36) PARP1GRM5ALDH1A1LMNATSHR
SCHEMBL3816389 0.80 NPC1 (0.35) GRM5GAATP53ALDH1A1LMNA
SCHEMBL3821039 0.80 GRM5 (0.32) PARP1GRM5ALDH1A1LMNAMAPT
SCHEMBL3820352 0.80 GRM5 (0.38) GRM5MAPT
SCHEMBL3819025 0.80 DRD1 (0.40) GRM5

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
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