SCHEMBL2437160

SCHEMBL2437160

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(OC(=O)NC(C)(C)c5cccc(Cl)c5)cc34)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.55
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
KIT P10721 8/20 0.48
FLT3 P36888 7/20 0.48
FGFR1 P11362 4/20 0.47
KDR P35968 2/20 0.47
NTRK1 P04629 2/20 0.45

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
SCHEMBL2434516 0.92 KIT (0.56) AURKAABL1BCRKITFLT3
SCHEMBL2431946 0.89 AURKA (0.55) AURKAABL1BCRKITFLT3
SCHEMBL740102 0.89 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL2438142 0.85 AURKA (0.53) AURKAABL1BCRKITFLT3
SCHEMBL2431925 0.84 KIT (0.47) AURKAABL1BCRKITFLT3
SCHEMBL2432693 0.81 LRRK2 (0.46) AURKAABL1BCRKITFLT3
SCHEMBL740517 0.81 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL740985 0.80 AURKA (0.77) AURKAABL1BCRKITFLT3
SCHEMBL739851 0.80 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL742821 0.80 AURKA (0.65) AURKAABL1BCRKITFLT3

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