SCHEMBL741121

SCHEMBL741121

CN1CCC(Oc2ccc(C(=O)Nc3n[nH]c4sc(C(=O)NC(C)(C)c5ccccc5F)cc34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.50
FLT3 P36888 8/20 0.50
AURKA O14965 1/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
GSK3B P49841 5/20 0.41
DYRK1A Q13627 5/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL2433174 0.91 KIT (0.48) KITFLT3AURKAGSK3BDYRK1A
SCHEMBL743305 0.91 KIT (0.49) KITFLT3AURKAABL1BCR
SCHEMBL741957 0.90 AURKA (0.58) KITFLT3AURKAABL1BCR
SCHEMBL742468 0.90 AURKA (0.50) KITFLT3AURKAABL1BCR
SCHEMBL741482 0.88 AURKA (0.49) KITFLT3AURKAABL1BCR
SCHEMBL741392 0.87 FLT3 (0.51) KITFLT3AURKAABL1BCR
SCHEMBL742121 0.86 AURKA (0.62) KITFLT3AURKAABL1BCR
SCHEMBL741890 0.85 AURKA (0.51) KITFLT3AURKAABL1BCR
SCHEMBL2431632 0.83 KIT (0.57) KITFLT3AURKAGSK3BDYRK1A
SCHEMBL742527 0.81 AURKA (0.52) KITFLT3AURKAABL1BCR

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 3 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