SCHEMBL3816872

SCHEMBL3816872

CC1c2c[nH]cc2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
GRM5 P41594 6/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3814892 0.88 MEN1 (0.38) HTTMAPK1GRM5KMT2AMEN1
SCHEMBL3817616 0.87 HTT (0.40) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3815429 0.87 HTT (0.40) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3815639 0.86 TRPC3 (0.44) GRM5NPC1RAB9A
SCHEMBL3813039 0.86 HTT (0.41) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3816775 0.86 TRPC3 (0.44) GRM5NPC1RAB9A
SCHEMBL3813334 0.86 TRPC3 (0.44) GRM5NPC1RAB9A
SCHEMBL3815590 0.84 HTT (0.40) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3810902 0.84 KMT2A (0.41) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3819401 0.84 KMT2A (0.41) HTTMAPK1LMNAGRM5KMT2A

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 2 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 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