SCHEMBL569927

SCHEMBL569927

COc1ccc(NC(=O)c2n[nH]c(-c3cc(C)sc3C)c2C)cc1C(=O)NCCCN

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
TTK P33981 1/20 0.36
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 2/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL569240 0.85 MCHR1 (0.45) TTKMEN1KMT2AMAPTMCHR1
SCHEMBL569399 0.84 TTK (0.39) KITTTKLRRK2MEN1KMT2A
SCHEMBL569973 0.84 CHEK1 (0.38) KITTTKLRRK2MCHR1
SCHEMBL569267 0.84 MAPT (0.42) MEN1KMT2AMAPTHPGDTP53
SCHEMBL569395 0.83 ALDH1A1 (0.38) KITTTKLRRK2MEN1KMT2A
SCHEMBL569785 0.82 HDAC8 (0.42) MEN1KMT2AMAPTMCHR1ALDH1A1
SCHEMBL569244 0.82 MAPT (0.43) MEN1KMT2AMAPTHPGDTP53
SCHEMBL570137 0.80 BACE1 (0.40) KITLRRK2MEN1KMT2AMAPT
SCHEMBL10182581 0.79 PLA2G10 (0.46) LRRK2MEN1KMT2AMAPTHPGD
SCHEMBL569928 0.78 LRRK2 (0.38) LRRK2MEN1KMT2AMAPTHPGD

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