SCHEMBL3817440

SCHEMBL3817440

COc1ccc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Cl)cn4n2)CC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
WDR5 P61964 1/20 0.36
USP30 Q70CQ3 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
FFAR2 O15552 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3CA P42336 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
SCHEMBL1010801 0.88 GRM5 (0.47) KMT2AMEN1GRM5KDM4ESCD
SCHEMBL3819494 0.86 KLKB1 (0.39) GRM5SCDSCD5FFAR2
SCHEMBL3817306 0.84 MEN1 (0.37) KMT2AMEN1MAPK1HTTGAA
SCHEMBL3813823 0.84 GSK3B (0.38) KMT2AMEN1
SCHEMBL3815574 0.84 KMT2A (0.45) KMT2AMEN1KDM4ELMNAMAPK1
SCHEMBL3813995 0.84 MEN1 (0.40) KMT2AMEN1GRM5KDM4ELMNA
SCHEMBL3816607 0.83 KMT2A (0.42) KMT2AMEN1GRM5KDM4ELMNA
SCHEMBL3810414 0.83 KMT2A (0.38) KMT2AMEN1GRM5KDM4ELMNA
SCHEMBL3812450 0.82 QRFPR (0.37) KMT2AMEN1GRM5KDM4E
SCHEMBL3813007 0.82 KMT2A (0.59) KMT2AMEN1KDM4ELMNAMAPK1

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