SCHEMBL2434516

SCHEMBL2434516

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.56
FLT3 P36888 7/20 0.56
AURKA O14965 6/20 0.54
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
NTRK1 P04629 2/20 0.49
INSR P06213 1/20 0.48
IGF1R P08069 1/20 0.48
AURKB Q96GD4 1/20 0.48
ALK Q9UM73 1/20 0.48
FGFR1 P11362 2/20 0.44
KDR P35968 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
SCHEMBL2431925 0.93 KIT (0.47) KITFLT3AURKAABL1BCR
SCHEMBL2431946 0.93 AURKA (0.55) KITFLT3AURKAABL1BCR
SCHEMBL2437160 0.92 AURKA (0.55) KITFLT3AURKAABL1BCR
SCHEMBL739851 0.89 AURKA (0.65) KITFLT3AURKAABL1BCR
SCHEMBL2438142 0.87 AURKA (0.53) KITFLT3AURKAABL1BCR
SCHEMBL2432693 0.85 LRRK2 (0.46) KITFLT3AURKAABL1BCR
SCHEMBL2434312 0.85 ABL1 (0.51) KITFLT3AURKAABL1BCR
SCHEMBL2439030 0.84 RAB9A (0.46) KITFLT3ABL1BCRALK
SCHEMBL2434904 0.84 ABL1 (0.52) KITFLT3AURKAABL1BCR
SCHEMBL741174 0.81 AURKA (0.54) KITFLT3AURKAABL1BCR

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