SCHEMBL3813262

SCHEMBL3813262

CC1c2cc(-c3cncnc3)ccc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 5/20 0.35
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
TP53 P04637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3818631 0.93 HTT (0.35) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL3817070 0.90 CYP11B2 (0.41) GRM5PRMT5WDR77
SCHEMBL3815307 0.90 LMNA (0.36) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL3818897 0.88 GSK3B (0.37) MAPK1HTTLMNAGRM5PRMT5
SCHEMBL3817616 0.88 HTT (0.40) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL3820349 0.87 ROCK2 (0.36) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL1009928 0.86 GRM5 (0.49) GRM5KMT2AGAAMAPTALDH1A1
SCHEMBL3820420 0.86 MAPK1 (0.36) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL3810902 0.85 KMT2A (0.41) MAPK1HTTLMNAGRM5KMT2A
SCHEMBL3820418 0.84 ALDH1A1 (0.41) MAPK1HTTLMNAGRM5KMT2A

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