SCHEMBL3819952

SCHEMBL3819952

CC(C)NC(=O)c1ccc2n1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
TACR3 P29371 4/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KCNK3 O14649 1/20 0.32
PRLHR P49683 2/20 0.31
TACR1 P25103 2/20 0.31
TACR2 P21452 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL3810896 0.90 KDM4E (0.35) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL3820003 0.89 ALDH1A1 (0.34) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL3816172 0.88 KDM4E (0.35) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL3817744 0.88 BRD4 (0.36) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL928652 0.86 GRM5 (0.42) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL3819959 0.86 KDM4E (0.37) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL3816870 0.84 KDM4E (0.39) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL3815328 0.83 MAPT (0.51) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL13719825 0.82 KDM4E (0.38) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL3818156 0.82 ALDH1A1 (0.38) MAPTALDH1A1KDM4EMEN1GAA

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
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