SCHEMBL3818952

SCHEMBL3818952

O=C(c1cc2c([N+](=O)[O-])cc(Cl)cn2n1)N1CCn2ccnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
P2RX7 Q99572 1/20 0.41
VNN1 O95497 1/20 0.36
NAMPT P43490 1/20 0.36
SPR P35270 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RIPK1 Q13546 1/20 0.35
PDE7B Q9NP56 1/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 3/20 0.34
ATR Q13535 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CDK1 P06493 1/20 0.32
MYT1 Q01538 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
SOS1 Q07889 1/20 0.32

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
SCHEMBL3818158 0.89 SCD (0.43) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3820161 0.86 SCD (0.47) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3815730 0.82 SCD (0.44) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3810702 0.78 SCD (0.50) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3813373 0.77 GAA (0.60) SPRALDH1A1GAA
SCHEMBL3813820 0.76 SCD (0.47) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL3811660 0.74 GRM5 (0.45) SMN1; SMN2ALDH1A1GAAGRM5
SCHEMBL3811238 0.73 NAMPT (0.39) NAMPTSPRALDH1A1GAAGRM5
SCHEMBL3810487 0.73 CASP6 (0.37) SMN1; SMN2
SCHEMBL3815162 0.72 SCD (0.44) SCDSCD5P2RX7VNN1NAMPT

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
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