SCHEMBL741485

SCHEMBL741485

O=C(Nc1n[nH]c2sc(C(=O)NC3(c4ccccc4)CCCC3)cc12)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.52
KIT P10721 3/20 0.49
FGFR1 P11362 2/20 0.49
KDR P35968 2/20 0.49
CDC7 O00311 1/20 0.49
CHEK1 O14757 1/20 0.49
JAK2 O60674 1/20 0.49
PAK4 O96013 1/20 0.49
NTRK1 P04629 1/20 0.49
PRKCB P05771 1/20 0.49
INSR P06213 1/20 0.49
RET P07949 1/20 0.49
PRKACA P17612 1/20 0.49
FLT4 P35916 1/20 0.49
JAK3 P52333 1/20 0.49
PDK1 Q15118 1/20 0.49
AURKB Q96GD4 1/20 0.49
STK26 Q9P289 1/20 0.49
AURKC Q9UQB9 1/20 0.49
FLT3 P36888 2/20 0.46

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
SCHEMBL742597 0.97 AURKA (0.53) AURKAKITFGFR1KDRCDC7
SCHEMBL742455 0.91 AURKA (0.55) AURKAKITFLT3
SCHEMBL2433592 0.88 AURKA (0.46) AURKAKITFGFR1KDRCDC7
SCHEMBL741208 0.88 AURKA (0.57) AURKAKITFLT3
SCHEMBL741273 0.86 HSD17B13 (0.40) AURKACDC7PAK4NTRK1PRKACA
SCHEMBL2437004 0.83 AURKA (0.55) AURKAKITFGFR1KDRCDC7
SCHEMBL741934 0.82 HSD17B13 (0.42) AURKAFGFR1CDC7PAK4NTRK1
SCHEMBL742991 0.82 AURKA (0.76) AURKAKITFGFR1KDRCDC7
SCHEMBL18108769 0.81 KIT (0.53) AURKAKITFGFR1KDRCDC7
SCHEMBL741251 0.80 AURKA (0.64) AURKAKITFGFR1KDRCDC7

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