SCHEMBL3810702

SCHEMBL3810702

O=C(c1cc2ccc(Cl)cn2n1)N1CCn2ccnc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.50
SCD5 Q86SK9 1/20 0.50
P2RX7 Q99572 3/20 0.47
ALDH1A1 P00352 4/20 0.42
NAMPT P43490 1/20 0.42
RIPK1 Q13546 1/20 0.40
TSHR P16473 2/20 0.40
VNN1 O95497 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SPR P35270 1/20 0.39
LMNA P02545 1/20 0.38
ATR Q13535 1/20 0.37
PDE7B Q9NP56 1/20 0.37
GRM5 P41594 3/20 0.37
CDK1 P06493 1/20 0.36
MYT1 Q01538 1/20 0.36

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
SCHEMBL3820000 0.87 SCD (0.50) SCDSCD5P2RX7ALDH1A1NAMPT
SCHEMBL3820161 0.83 SCD (0.47) SCDSCD5P2RX7NAMPTRIPK1
SCHEMBL929838 0.83 GRM5 (0.55) SCDSCD5P2RX7ALDH1A1TSHR
SCHEMBL3816866 0.83 NAMPT (0.44) P2RX7ALDH1A1NAMPTTSHRKDM4E
SCHEMBL3815558 0.82 P2RX7 (0.53) P2RX7ALDH1A1TSHRKDM4ENPC1
SCHEMBL3816763 0.81 ALDH1A1 (0.43) P2RX7ALDH1A1TSHRKDM4ENPC1
SCHEMBL3820937 0.79 GRM5 (0.41) ALDH1A1RIPK1TSHRKDM4ENPC1
SCHEMBL3818664 0.79 P2RX7 (0.48) P2RX7ALDH1A1TSHRLMNAGRM5
SCHEMBL3815730 0.79 SCD (0.44) SCDSCD5P2RX7ALDH1A1NAMPT
SCHEMBL3818952 0.78 SCD (0.43) SCDSCD5P2RX7ALDH1A1NAMPT

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