SCHEMBL739669

SCHEMBL739669

CN(C)Cc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)NC(C)(C)c4ccccc4)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
AURKA O14965 4/20 0.50
FLT3 P36888 6/20 0.47
KIT P10721 3/20 0.47
FOXO1 Q12778 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
IMPDH2 P12268 1/20 0.36
MAP4K4 O95819 2/20 0.36
MELK Q14680 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
STK17A Q9UEE5 2/20 0.36
ROCK2 O75116 2/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
PAK4 O96013 1/20 0.36

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
SCHEMBL742313 0.92 ABL1 (0.51) ABL1BCRAURKAFLT3KIT
SCHEMBL743001 0.91 ABL1 (0.51) ABL1BCRAURKAFLT3KIT
SCHEMBL743719 0.89 ABL1 (0.55) ABL1BCRAURKAFLT3KIT
SCHEMBL740292 0.89 AURKA (0.55) ABL1BCRAURKAHDAC6IMPDH2
SCHEMBL741926 0.88 AURKA (0.52) ABL1BCRAURKAFLT3KIT
SCHEMBL2432388 0.87 FLT3 (0.47) ABL1BCRAURKAFLT3KIT
SCHEMBL739415 0.86 ABL1 (0.53) ABL1BCRAURKAFLT3KIT
SCHEMBL738866 0.86 AURKA (0.53) ABL1BCRAURKAFLT3HDAC6
SCHEMBL741311 0.86 AURKA (0.53) ABL1BCRAURKAFLT3HDAC6
SCHEMBL741133 0.86 ABL1 (0.54) ABL1BCRAURKAFLT3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US claimed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP claimed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP disclosed