SCHEMBL3817616

SCHEMBL3817616

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3818792 0.93 KMT2A (0.39) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3810902 0.93 KMT2A (0.41) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3815100 0.92 PARP1 (0.42) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL4173155 0.92 PARP1 (0.42) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3814000 0.92 GRM5 (0.39) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3815429 0.91 HTT (0.40) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3813039 0.90 HTT (0.41) HTTMAPK1LMNAGRM5KMT2A
SCHEMBL3813334 0.90 TRPC3 (0.44) GRM5TRPC3TRPC6RAB9A
SCHEMBL3816775 0.90 TRPC3 (0.44) GRM5TRPC3TRPC6RAB9A
SCHEMBL3815639 0.90 TRPC3 (0.44) GRM5TRPC3TRPC6RAB9A

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