SCHEMBL3817670

SCHEMBL3817670

CC1c2cc(F)ccc2CCN1C(=O)c1cc2c(Br)cc(Br)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
GRM5 P41594 5/20 0.35
MEN1 O00255 3/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK1 Q13546 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
SCHEMBL3813787 0.89 KMT2A (0.45) PARP1KMT2AMAPK1HTTLMNA
SCHEMBL3812614 0.87 PARP1 (0.38) PARP1KMT2AMAPK1HTTLMNA
SCHEMBL3816778 0.87 TRPC3 (0.43) PARP1MAPK1HTTLMNAGRM5
SCHEMBL3814941 0.87 TRPC3 (0.43) PARP1MAPK1HTTLMNAGRM5
SCHEMBL3815100 0.85 PARP1 (0.42) PARP1KMT2AMAPK1HTTLMNA
SCHEMBL4173155 0.85 PARP1 (0.42) PARP1KMT2AMAPK1HTTLMNA
SCHEMBL8217997 0.83 ESR2 (0.55) KMT2AALDH1A1ESR1POLBESR2
SCHEMBL1009091 0.83 ESR2 (0.55) KMT2AALDH1A1ESR1POLBESR2
SCHEMBL8212853 0.83 ESR2 (0.55) KMT2AALDH1A1ESR1POLBESR2
SCHEMBL3816705 0.83 PARP1 (0.44) PARP1KMT2AMAPK1HTTLMNA

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