SCHEMBL740144

SCHEMBL740144

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CN4CCOCC4)cc3)n[nH]c2s1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
RAB9A P51151 6/20 0.45
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
NPC1 O15118 5/20 0.43
AURKA O14965 4/20 0.43
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
FLT3 P36888 2/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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 0.93 ABL1 (0.60) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL742867 0.93 ABL1 (0.58) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL739473 0.92 ABL1 (0.61) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL741946 0.92 ABL1 (0.61) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL742258 0.90 ABL1 (0.65) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL2434843 0.90 ABL1 (0.43) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL740827 0.90 ABL1 (0.51) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL739685 0.89 ABL1 (0.56) ABL1BCRRAB9AHIF1AEPAS1
SCHEMBL742527 0.89 AURKA (0.52) ABL1BCRAURKAMAPTFLT3
SCHEMBL742340 0.88 ABL1 (0.55) ABL1BCRRAB9AHIF1AEPAS1

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