SCHEMBL2433592

SCHEMBL2433592

O=C(NC1(c2ccccc2)CCCC1)Oc1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.46
KIT P10721 7/20 0.46
FLT3 P36888 4/20 0.46
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
NTRK1 P04629 2/20 0.44
CDC7 O00311 1/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
PAK4 O96013 1/20 0.44
PRKCB P05771 1/20 0.44
INSR P06213 1/20 0.44
RET P07949 1/20 0.44
PRKACA P17612 1/20 0.44
FLT4 P35916 1/20 0.44
JAK3 P52333 1/20 0.44
PDK1 Q15118 1/20 0.44
AURKB Q96GD4 1/20 0.44
STK26 Q9P289 1/20 0.44
AURKC Q9UQB9 1/20 0.44

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
SCHEMBL741485 0.88 AURKA (0.52) AURKAKITFLT3FGFR1KDR
SCHEMBL4632688 0.85 AURKA (0.51) AURKAKITFLT3FGFR1KDR
SCHEMBL742597 0.85 AURKA (0.53) AURKAKITFLT3FGFR1KDR
SCHEMBL742455 0.80 AURKA (0.55) AURKAKITFLT3
SCHEMBL2434466 0.79 AURKA (0.48) AURKAKITFLT3FGFR1KDR
SCHEMBL4632583 0.79 NTRK1 (0.47) AURKAKITFLT3FGFR1KDR
SCHEMBL2432386 0.77 AURKA (0.47) AURKAKITFLT3FGFR1KDR
SCHEMBL18108769 0.77 KIT (0.53) AURKAKITFLT3FGFR1KDR
SCHEMBL4633237 0.77 KIT (0.47) AURKAKITFLT3FGFR1KDR
SCHEMBL741208 0.76 AURKA (0.57) AURKAKITFLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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