SCHEMBL627181

SCHEMBL627181

NCCCNC(=O)c1cncc(NC(=O)Nc2ccc3[nH]ncc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.54
ROCK1 Q13464 14/20 0.54
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
JAK2 O60674 1/20 0.49
RPS6KB1 P23443 5/20 0.48
CLK4 Q9HAZ1 3/20 0.48
SGK2 Q9HBY8 3/20 0.48
PRKACA P17612 2/20 0.48
PRKX P51817 2/20 0.48
PRKG2 Q13237 2/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKD3 O94806 2/20 0.47
CLK2 P49760 2/20 0.47
DYRK1A Q13627 2/20 0.47
PRKG1 Q13976 2/20 0.47
PRKD2 Q9BZL6 2/20 0.47
STK17A Q9UEE5 2/20 0.47
MAP4K4 O95819 1/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL12503547 0.83 ROCK2 (0.55) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL623932 0.76 RAB9A (0.59) NPC1RAB9A
SCHEMBL10083553 0.75 KDM4E (0.51)
SCHEMBL623623 0.74 KDR (0.53) NPC1RAB9AMAPK1
SCHEMBL625959 0.73 HDAC6 (0.46) NPC1RAB9ACSNK1DCSNK2A1
SCHEMBL624357 0.72 RAB9A (0.51) NPC1RAB9A
SCHEMBL625899 0.72 MAPT (0.46) NPC1RAB9AMAPK1TMIGD3ADORA1
SCHEMBL26715302 0.72 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9ARPS6KB1
SCHEMBL623924 0.71 ABL1 (0.56) ROCK2MAPK1PRKCD
SCHEMBL12059777 0.71 ROCK2 (0.70) ROCK2ROCK1NPC1RAB9AJAK2

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed