SCHEMBL4564726

SCHEMBL4564726

CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2.CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2.CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C.CC1c2cccc(Cl)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
POLB P06746 2/20 0.34
BCL2 P10415 2/20 0.34
BAD Q92934 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KRAS P01116 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
SCHEMBL4564727 0.93 F11 (0.34) MAPTF11KLKB1TAS1R3TAS1R1
SCHEMBL3810553 0.86 F11 (0.43) MAPTF11KLKB1POLBNPSR1
SCHEMBL3817241 0.86 F11 (0.39) MAPTF11KLKB1POLBNPSR1
SCHEMBL3820233 0.85 MAPT (0.47) MAPTTAS1R3TAS1R1TAS1R2ITGB2
SCHEMBL3816821 0.85 BCL2 (0.41) MAPTTAS1R3TAS1R1TAS1R2ITGB2
SCHEMBL3820067 0.81 DRD1 (0.42) MAPTF11KLKB1NPSR1ALDH1A1
SCHEMBL4563029 0.81 GRM5 (0.39) MAPTPOLBNPSR1KMT2AALDH1A1
SCHEMBL3813529 0.77 F11 (0.40) MAPTF11KLKB1NPSR1MEN1
SCHEMBL13719953 0.76 F11 (0.39) MAPTF11KLKB1ITGB2ICAM1
SCHEMBL3819985 0.76 POLB (0.44) ITGB2ICAM1ITGALPOLBBCL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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