SCHEMBL740932

SCHEMBL740932

CCC(CC)(NC(=O)c1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.53
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
KIT P10721 2/20 0.48
NTRK1 P04629 2/20 0.48
KDR P35968 2/20 0.48
CDC7 O00311 1/20 0.48
CHEK1 O14757 1/20 0.48
JAK2 O60674 1/20 0.48
PAK4 O96013 1/20 0.48
PRKCB P05771 1/20 0.48
INSR P06213 1/20 0.48
RET P07949 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
FLT4 P35916 1/20 0.48
JAK3 P52333 1/20 0.48
PDK1 Q15118 1/20 0.48
AURKB Q96GD4 1/20 0.48
STK26 Q9P289 1/20 0.48

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
SCHEMBL740471 0.92 AURKA (0.62) AURKAABL1BCRKITFLT3
SCHEMBL741251 0.90 AURKA (0.64) AURKAABL1BCRKITNTRK1
SCHEMBL2434466 0.88 AURKA (0.48) AURKAABL1BCRKITNTRK1
SCHEMBL738935 0.87 AURKA (0.52) AURKAABL1BCRKITNTRK1
SCHEMBL739913 0.85 AURKA (0.42) AURKAABL1BCRNTRK1CDC7
SCHEMBL740681 0.83 AURKA (0.54) AURKAABL1BCRKITNTRK1
SCHEMBL741174 0.83 AURKA (0.54) AURKAABL1BCRKITNTRK1
SCHEMBL2437004 0.83 AURKA (0.55) AURKAKITNTRK1KDRCDC7
SCHEMBL742991 0.83 AURKA (0.76) AURKAKITNTRK1KDRCDC7
SCHEMBL739953 0.82 AURKA (0.66) AURKAKITNTRK1KDRCDC7

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