SCHEMBL569240

SCHEMBL569240

COc1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2C)cc1C(=O)NCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
TP53 P04637 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
TTK P33981 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MARK3 P27448 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CDK5 Q00535 1/20 0.39
MAP4K2 Q12851 1/20 0.39
PRKAA1 Q13131 1/20 0.39

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
SCHEMBL569785 0.92 HDAC8 (0.42) MCHR1MEN1KMT2AMAPTHDAC8
SCHEMBL569973 0.88 CHEK1 (0.38) MCHR1TTKHDAC11HDAC8
SCHEMBL569399 0.87 TTK (0.39) MCHR1TTKMEN1KMT2AMAPT
SCHEMBL569244 0.86 MAPT (0.43) TP53MEN1KMT2AMAPT
SCHEMBL569267 0.86 MAPT (0.42) TP53MEN1KMT2AMAPT
SCHEMBL569927 0.85 KIT (0.36) MCHR1TP53RXFP1TTKMEN1
SCHEMBL569395 0.84 ALDH1A1 (0.38) MCHR1TTKMEN1KMT2AMAPT
SCHEMBL570137 0.83 BACE1 (0.40) MCHR1MEN1KMT2AMAPT
SCHEMBL570469 0.83 FLT3 (0.56) CDK2CSNK2A1
SCHEMBL570358 0.81 ABL1 (0.43) KMT2AMAPTCDK2CSNK2A1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed