SCHEMBL742258

SCHEMBL742258

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CN4CCOCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
AURKA O14965 7/20 0.53
HIF1A Q16665 2/20 0.48
EPAS1 Q99814 2/20 0.48
RAB9A P51151 3/20 0.45
FLT3 P36888 2/20 0.44
KDR P35968 1/20 0.44
HDAC1 Q13547 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43

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
SCHEMBL1779566 0.95 ABL1 (0.59) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL739685 0.93 ABL1 (0.56) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL742638 0.93 ABL1 (0.74) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL740623 0.93 ABL1 (0.72) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL740752 0.92 ABL1 (0.76) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL741183 0.92 ABL1 (0.76) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL739604 0.92 ABL1 (0.66) ABL1BCRAURKAFLT3KDR
SCHEMBL742340 0.92 ABL1 (0.55) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL740986 0.92 ABL1 (0.54) ABL1BCRAURKAHIF1AEPAS1
SCHEMBL739914 0.92 ABL1 (0.64) ABL1BCRAURKAHIF1AEPAS1

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