SCHEMBL3819944

SCHEMBL3819944

CC1c2cncc([N+](=O)[O-])c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GRM5 P41594 4/20 0.33
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL3812884 0.89 GAA (0.34) LMNASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL13720273 0.89 HTT (0.33) SMN1; SMN2HTTNCOA1NCOA3ALDH1A1
SCHEMBL3817567 0.88 SMN1; SMN2 (0.39) LMNACYP1A2CYP2C19SMN1; SMN2HTT
SCHEMBL1010407 0.86 ALDH1A1 (0.48) GRM5ALDH1A1MAPTGAATDP1
SCHEMBL3815122 0.80 HTT (0.47) LMNACYP1A2CYP2C19SMN1; SMN2HTT
SCHEMBL3816475 0.80 HTT (0.45) LMNACYP1A2CYP2C19SMN1; SMN2HTT
SCHEMBL3812171 0.79 GRM5 (0.38) LMNASMN1; SMN2HTTGRM5MAPK1
SCHEMBL3819045 0.79 GRM5 (0.36) LMNAHTTGRM5MAPK1ALDH1A1
SCHEMBL3815351 0.79 GRM5 (0.38) GRM5ALDH1A1MAPTGAATDP1
SCHEMBL1011505 0.79 GRM5 (0.43) LMNAGRM5ALDH1A1MAPTGAA

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