SCHEMBL742456

SCHEMBL742456

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CN4CCCCC4)cc3)n[nH]c2s1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
CYP2C9 P11712 1/20 0.49
AURKA O14965 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 4/20 0.42
HTR2C P28335 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ENPP2 Q13822 2/20 0.40
ACKR3 P25106 3/20 0.40
KDR P35968 1/20 0.40
MPO P05164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL742130 0.99 ABL1 (0.64) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL742951 0.98 ABL1 (0.62) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL741183 0.93 ABL1 (0.76) ABL1BCRCYP2C9AURKAKDM4E
SCHEMBL740752 0.93 ABL1 (0.76) ABL1BCRCYP2C9AURKAKDM4E
SCHEMBL742939 0.92 ABL1 (0.64) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL739685 0.92 ABL1 (0.56) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL742638 0.92 ABL1 (0.74) ABL1BCRCYP2C9AURKAKDM4E
SCHEMBL740581 0.92 ABL1 (0.63) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL741724 0.91 ABL1 (0.64) ABL1BCRCYP2C9AURKASMN1; SMN2
SCHEMBL740623 0.90 ABL1 (0.72) ABL1BCRCYP2C9AURKAKDM4E

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