SCHEMBL3822282

SCHEMBL3822282

CC1c2cc(-c3nn[nH]n3)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C4 P17516 1/20 0.38
RPA1 P27694 1/20 0.35
PARP1 P09874 3/20 0.35
KLKB1 P03952 1/20 0.34
XDH P47989 1/20 0.34
GPR183 P32249 2/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 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
SCHEMBL3813017 0.94 AKR1C3 (0.39) MEN1KMT2AAKR1C3AKR1C4RPA1
SCHEMBL3817979 0.91 AKR1C3 (0.38) MEN1KMT2AAKR1C3AKR1C4PARP1
SCHEMBL1010340 0.86 GRM5 (0.41) MEN1KMT2AAKR1C3AKR1C4PARP1
SCHEMBL3816607 0.84 KMT2A (0.42) MEN1KMT2APARP1MAPTMAPK1
SCHEMBL3818898 0.84 PARP1 (0.38) MEN1KMT2AAKR1C3AKR1C4PARP1
SCHEMBL3816438 0.84 AKR1C3 (0.39) MEN1KMT2AAKR1C3AKR1C4XDH
SCHEMBL3813823 0.83 GSK3B (0.38) MEN1KMT2ABRD4BRD2
SCHEMBL3810604 0.82 KMT2A (0.36) MEN1KMT2APARP1GAAMAPT
SCHEMBL3817306 0.82 MEN1 (0.37) MEN1KMT2AKLKB1GAAMAPT
SCHEMBL3810668 0.81 KMT2A (0.41) MEN1KMT2AGAAMAPTMAPK1

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