SCHEMBL742867

SCHEMBL742867

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CN4CCC4)cc3)n[nH]c2s1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.58
BCR P11274 2/20 0.58
AURKA O14965 2/20 0.42
CYP2C9 P11712 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
KDR P35968 1/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
TNIK Q9UKE5 1/20 0.38
NTRK1 P04629 2/20 0.37
ALK Q9UM73 2/20 0.37

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
SCHEMBL742153 0.98 ABL1 (0.60) ABL1BCRAURKACYP2C9HRH3
SCHEMBL741946 0.98 ABL1 (0.61) ABL1BCRAURKACYP2C9HRH3
SCHEMBL739473 0.98 ABL1 (0.61) ABL1BCRAURKACYP2C9HRH3
SCHEMBL740144 0.93 ABL1 (0.52) ABL1BCRAURKAKDRFLT3
SCHEMBL740623 0.90 ABL1 (0.72) ABL1BCRAURKACYP2C9HRH3
SCHEMBL2432351 0.89 ABL1 (0.48) ABL1BCRAURKACYP2C9HRH3
SCHEMBL742316 0.89 ABL1 (0.57) ABL1BCRAURKACYP2C9HRH3
SCHEMBL2431018 0.89 ABL1 (0.62) ABL1BCRAURKACYP2C9HRH3
SCHEMBL742951 0.89 ABL1 (0.62) ABL1BCRAURKACYP2C9KDR
SCHEMBL742638 0.88 ABL1 (0.74) ABL1BCRAURKACYP2C9HRH3

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