SCHEMBL3813487

SCHEMBL3813487

CCOC(=O)c1cn2c(n1)CN(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
SMO Q99835 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL3813047 0.89 SMO (0.44) SMOHDAC6KMT2AKDM4ENPC1
SCHEMBL3812669 0.85 P2RX7 (0.48) HDAC6ESR1ESR2KDM4ENPC1
SCHEMBL13720180 0.85 HDAC6 (0.44) HDAC6ESR1ESR2KDM4ENPC1
SCHEMBL928595 0.84 ESR2 (0.56) KMT2AESR1ESR2ALDH1A1TSHR
SCHEMBL3819398 0.83 DPP4 (0.45) GABRG2GABRB3GABRA5KMT2AESR1
SCHEMBL3821792 0.80 GABRG2 (0.40) GABRG2GABRB3GABRA5KMT2AESR1
SCHEMBL3816519 0.79 ALDH1A1 (0.46) GABRG2GABRB3GABRA5KMT2AKDM4E
SCHEMBL930508 0.77 GRM5 (0.52) SMOKMT2AESR1ESR2KDM4E
SCHEMBL3820186 0.76 NAMPT (0.44) ESR1ESR2KDM4ENPC1RAB9A
SCHEMBL3820000 0.76 SCD (0.50) ESR1ESR2KDM4ENPC1RAB9A

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