SCHEMBL741174

SCHEMBL741174

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.54
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
KIT P10721 2/20 0.46
FLT3 P36888 1/20 0.46
LRRK2 Q5S007 1/20 0.46
ALK Q9UM73 1/20 0.45
NTRK1 P04629 3/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDR P35968 2/20 0.42
FGFR1 P11362 2/20 0.42
CDC7 O00311 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42
PRKCB P05771 1/20 0.42
INSR P06213 1/20 0.42

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
SCHEMBL739851 0.92 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL740120 0.92 AURKA (0.55) AURKAABL1BCRKITLRRK2
SCHEMBL741251 0.91 AURKA (0.64) AURKAABL1BCRKITFLT3
SCHEMBL740681 0.91 AURKA (0.54) AURKAABL1BCRKITFLT3
SCHEMBL742340 0.90 ABL1 (0.55) AURKAABL1BCRFLT3ALK
SCHEMBL738756 0.89 AURKA (0.55) AURKAABL1BCRKITFLT3
SCHEMBL2431925 0.89 KIT (0.47) AURKAABL1BCRKITFLT3
SCHEMBL742859 0.89 AURKA (0.52) AURKAABL1BCRKITFLT3
SCHEMBL742527 0.88 AURKA (0.52) AURKAABL1BCRKITFLT3
SCHEMBL740826 0.87 AURKA (0.55) AURKAABL1BCRKITFLT3

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