SCHEMBL570358

SCHEMBL570358

COc1ccc(NC(=O)c2n[nH]c3cccc(C)c23)cc1C(=O)NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
FLT3 P36888 4/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
RAC1 P63000 1/20 0.41
MAP4K1 Q92918 1/20 0.40
CDK2 P24941 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KCNK3 O14649 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TOP1 P11387 1/20 0.40
PTGS2 P35354 1/20 0.40
CSNK2A1 P68400 2/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
MAPT P10636 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
SCHEMBL624373 0.90 ABL1 (0.42) ABL1BCRFLT3NTRK2
SCHEMBL570469 0.87 FLT3 (0.56) FLT3NTRK1NTRK2RAC1MAP4K1
SCHEMBL12473482 0.84 FLT3 (0.40) ABL1BCRFLT3NTRK1NTRK2
SCHEMBL569240 0.81 MCHR1 (0.45) CDK2KMT2ACSNK2A1MAPTHCRTR2
SCHEMBL10182249 0.81 JAK2 (0.46) FLT3NTRK1CDK2KMT2ACSNK2A1
SCHEMBL569399 0.81 TTK (0.39) LRRK2KMT2ATOP1PTGS2MAPT
SCHEMBL569785 0.80 HDAC8 (0.42) KMT2AMAPT
SCHEMBL570137 0.80 BACE1 (0.40) LRRK2KMT2AMAPT
SCHEMBL15173182 0.80 NTRK1 (0.44) FLT3NTRK1NTRK2RAC1MAP4K1
SCHEMBL569267 0.79 MAPT (0.42) POLBKMT2AMAPT

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