SCHEMBL741392

SCHEMBL741392

COc1ccc(C(C)(C)NC(=O)c2cc3c(NC(=O)c4ccc(OC5CCN(C)CC5)cc4)n[nH]c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.51
AURKA O14965 2/20 0.51
KIT P10721 6/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
DYRK1A Q13627 4/20 0.41
GSK3B P49841 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FGFR1 P11362 2/20 0.41
KDR P35968 1/20 0.41
CLK2 P49760 3/20 0.40
CLK3 P49761 3/20 0.40
NTRK1 P04629 1/20 0.39
WNT1 P04628 1/20 0.39

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
SCHEMBL741957 0.94 AURKA (0.58) FLT3AURKAKITABL1BCR
SCHEMBL741890 0.93 AURKA (0.51) FLT3AURKAKITABL1BCR
SCHEMBL742468 0.93 AURKA (0.50) FLT3AURKAKITABL1BCR
SCHEMBL743305 0.90 KIT (0.49) FLT3AURKAKITABL1BCR
SCHEMBL741482 0.89 AURKA (0.49) FLT3AURKAKITABL1BCR
SCHEMBL739082 0.88 AURKA (0.64) FLT3AURKAKITABL1BCR
SCHEMBL741121 0.87 KIT (0.50) FLT3AURKAKITABL1BCR
SCHEMBL2431632 0.85 KIT (0.57) FLT3AURKAKITDYRK1AGSK3B
SCHEMBL741609 0.84 AURKA (0.52) AURKAABL1BCRHDAC6KDR
SCHEMBL739540 0.83 AURKA (0.54) FLT3AURKAKITABL1BCR

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 2 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
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