SCHEMBL3820161

SCHEMBL3820161

O=C(c1cc2c(Cl)cc(Cl)cn2n1)N1CCn2ccnc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.47
P2RX7 Q99572 6/20 0.44
NAMPT P43490 1/20 0.40
SPR P35270 1/20 0.39
PDE7B Q9NP56 1/20 0.39
RIPK1 Q13546 1/20 0.38
VNN1 O95497 1/20 0.38
GRM5 P41594 3/20 0.37
ATR Q13535 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
CDK1 P06493 1/20 0.35
MYT1 Q01538 1/20 0.35

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
SCHEMBL3815730 0.87 SCD (0.44) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3818952 0.86 SCD (0.43) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3810702 0.83 SCD (0.50) SCDSCD5P2RX7NAMPTSPR
SCHEMBL929838 0.83 GRM5 (0.55) SCDSCD5P2RX7VNN1GRM5
SCHEMBL3815980 0.83 NAMPT (0.42) P2RX7NAMPTSPRGRM5PIK3CA
SCHEMBL4473093 0.81 SCD (0.37) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3813820 0.80 SCD (0.47) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3815162 0.76 SCD (0.44) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3818158 0.76 SCD (0.43) SCDSCD5P2RX7NAMPTSPR
SCHEMBL3815966 0.74 SPR (0.56) SPR

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