SCHEMBL3810902

SCHEMBL3810902

Cc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 4/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 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
SCHEMBL3817616 0.93 HTT (0.40) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3814000 0.89 GRM5 (0.39) KMT2AMEN1LMNAHTTMAPK1
SCHEMBL4173155 0.89 PARP1 (0.42) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3815100 0.89 PARP1 (0.42) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3810668 0.89 KMT2A (0.41) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3813334 0.88 TRPC3 (0.44) GRM5TRPC3TRPC6
SCHEMBL3816775 0.88 TRPC3 (0.44) GRM5TRPC3TRPC6
SCHEMBL3815639 0.88 TRPC3 (0.44) GRM5TRPC3TRPC6
SCHEMBL3813039 0.88 HTT (0.41) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3816631 0.87 HTT (0.43) KMT2AMEN1LMNAHTTALDH1A1

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