SCHEMBL3815233

SCHEMBL3815233

CC1c2occ(Br)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRLHR P49683 2/20 0.31
TACR3 P29371 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL3814963 0.90 GRM5 (0.34) ALDH1A1HTTLMNAMAPK1TP53
SCHEMBL3812824 0.90 ALDH1A1 (0.35) ALDH1A1HTTLMNAMAPK1TP53
SCHEMBL1863911 0.85 GRM5 (0.47) ALDH1A1LMNAMAPTL3MBTL1GRM5
SCHEMBL3816485 0.85 NPC1 (0.34) ALDH1A1HTTLMNAMAPK1TP53
SCHEMBL3813529 0.83 F11 (0.40) ALDH1A1HTTMAPK1TP53MAPT
SCHEMBL13720192 0.82 HTT (0.39) ALDH1A1HTTLMNAMAPK1TP53
SCHEMBL3814960 0.82 TRPC3 (0.34) ALDH1A1HTTMAPK1TP53MAPT
SCHEMBL3812712 0.81 KMT2A (0.41) ALDH1A1HTTLMNAMAPK1MAPT
SCHEMBL3812048 0.81 P2RX7 (0.36) GRM5NPSR1P2RX7
SCHEMBL13719449 0.80 MEN1 (0.35) ALDH1A1HTTLMNAMAPK1TP53

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