SCHEMBL3815009

SCHEMBL3815009

O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(nnc2-c2cncnc2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.39
TACR3 P29371 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3816162 0.91 P2RX7 (0.50) P2RX7TACR3
SCHEMBL3819285 0.90 P2RX7 (0.46) P2RX7TACR3
SCHEMBL3819578 0.88 P2RX7 (0.47) P2RX7TACR3
SCHEMBL3815616 0.86 P2RX7 (0.56) P2RX7TACR3
SCHEMBL3817078 0.86 P2RX7 (0.42) P2RX7TACR3ALDH1A1
SCHEMBL3818093 0.86 P2RX7 (0.43) P2RX7TACR3ALDH1A1GAAMAPT
SCHEMBL3811813 0.86 PARP1 (0.43) P2RX7TACR3ALDH1A1TDP1LMNA
SCHEMBL3815725 0.86 P2RX7 (0.41) P2RX7TACR3ALDH1A1LMNATSHR
SCHEMBL3813994 0.86 P2RX7 (0.51) P2RX7TACR3ALDH1A1GAAMAPT
SCHEMBL930862 0.84 ALDH1A1 (0.57) ALDH1A1GAAMAPTTDP1TSHR

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