SCHEMBL740120

SCHEMBL740120

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.55
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
LRRK2 Q5S007 2/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
NTRK1 P04629 5/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
KDR P35968 2/20 0.45
FGFR1 P11362 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
INSR P06213 2/20 0.43
AURKB Q96GD4 2/20 0.43
CDC7 O00311 1/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 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
SCHEMBL741251 0.93 AURKA (0.64) AURKAABL1BCRMAPTLMNA
SCHEMBL741174 0.92 AURKA (0.54) AURKAABL1BCRLRRK2MAPT
SCHEMBL740888 0.92 AURKA (0.66) AURKAABL1BCRNTRK1KDR
SCHEMBL740826 0.92 AURKA (0.55) AURKAABL1BCRLRRK2MAPT
SCHEMBL739540 0.90 AURKA (0.54) AURKAABL1BCRLRRK2MAPT
SCHEMBL739685 0.89 ABL1 (0.56) AURKAABL1BCRMAPTLMNA
SCHEMBL742527 0.89 AURKA (0.52) AURKAABL1BCRLRRK2MAPT
SCHEMBL2432693 0.88 LRRK2 (0.46) AURKAABL1BCRLRRK2MAPT
SCHEMBL740681 0.87 AURKA (0.54) AURKAABL1BCRMAPTLMNA
SCHEMBL738756 0.86 AURKA (0.55) AURKAABL1BCRLRRK2MAPT

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