SCHEMBL4564727

SCHEMBL4564727

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.NC(=O)Cc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
MAPT P10636 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
DRD1 P21728 1/20 0.32
KRAS P01116 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
POLB P06746 1/20 0.30
BCL2 P10415 1/20 0.30
BAD Q92934 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
SCHEMBL4564726 0.93 MAPT (0.38) F11KLKB1MAPTITGB2ICAM1
SCHEMBL4563029 0.88 GRM5 (0.39) MAPTPOLB
SCHEMBL3817241 0.80 F11 (0.39) F11KLKB1MAPTPOLB
SCHEMBL3810553 0.80 F11 (0.43) F11KLKB1MAPTDRD1POLB
SCHEMBL3816821 0.79 BCL2 (0.41) MAPTITGB2ICAM1ITGALTAS1R3
SCHEMBL3820233 0.79 MAPT (0.47) MAPTITGB2ICAM1ITGALTAS1R3
SCHEMBL3820067 0.76 DRD1 (0.42) F11KLKB1MAPTDRD1
SCHEMBL3813529 0.72 F11 (0.40) F11KLKB1MAPTDRD1
SCHEMBL13719953 0.71 F11 (0.39) F11KLKB1MAPTITGB2ICAM1
SCHEMBL3819985 0.71 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